Organic acids and derivatives
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2-Aminobenzhydrazide, 98+%
CAS: 1904-58-1 Molecular Formula: C7H9N3O Molecular Weight (g/mol): 151.17 MDL Number: MFCD00017056 InChI Key: GRWMSCBKWMQPON-UHFFFAOYSA-N Synonym: 2-aminobenzhydrazide,o-aminobenzhydrazide,anthranilic acid hydrazide,benzoic acid, 2-amino-, hydrazide,anthranilic hydrazide,anthraniloyl hydrazide,anthraniloyl hydrazine,2-aminobenzoylhydrazine,2-aminobenzoic acid hydrazide,o-aminobenzoic hydrazide PubChem CID: 94728 IUPAC Name: 2-aminobenzohydrazide SMILES: NNC(=O)C1=CC=CC=C1N
| PubChem CID | 94728 |
|---|---|
| CAS | 1904-58-1 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00017056 |
| SMILES | NNC(=O)C1=CC=CC=C1N |
| Synonym | 2-aminobenzhydrazide,o-aminobenzhydrazide,anthranilic acid hydrazide,benzoic acid, 2-amino-, hydrazide,anthranilic hydrazide,anthraniloyl hydrazide,anthraniloyl hydrazine,2-aminobenzoylhydrazine,2-aminobenzoic acid hydrazide,o-aminobenzoic hydrazide |
| IUPAC Name | 2-aminobenzohydrazide |
| InChI Key | GRWMSCBKWMQPON-UHFFFAOYSA-N |
| Molecular Formula | C7H9N3O |
Quinoline-6-boronic acid, 97%
CAS: 376581-24-7 Molecular Formula: C9H8BNO2 Molecular Weight (g/mol): 172.98 MDL Number: MFCD03093100 InChI Key: JLOLSBLXNMVKGY-UHFFFAOYSA-N Synonym: quinoline-6-boronic acid,6-quinolineboronic acid,6-quinolinylboronic acid,boronic acid, 6-quinolinyl,quinolin-6-yl-6-boronic acid,quinolin-6-yl boronic acid,quinolin-6-ylboronicacidhydrochloride,pubchem1880,6-quinolylboronic acid,quinoline-6-boronicacid PubChem CID: 4192671 IUPAC Name: quinolin-6-ylboronic acid SMILES: OB(O)C1=CC2=CC=CN=C2C=C1
| PubChem CID | 4192671 |
|---|---|
| CAS | 376581-24-7 |
| Molecular Weight (g/mol) | 172.98 |
| MDL Number | MFCD03093100 |
| SMILES | OB(O)C1=CC2=CC=CN=C2C=C1 |
| Synonym | quinoline-6-boronic acid,6-quinolineboronic acid,6-quinolinylboronic acid,boronic acid, 6-quinolinyl,quinolin-6-yl-6-boronic acid,quinolin-6-yl boronic acid,quinolin-6-ylboronicacidhydrochloride,pubchem1880,6-quinolylboronic acid,quinoline-6-boronicacid |
| IUPAC Name | quinolin-6-ylboronic acid |
| InChI Key | JLOLSBLXNMVKGY-UHFFFAOYSA-N |
| Molecular Formula | C9H8BNO2 |
Diethyl cyanomethylphosphonate, 96%
CAS: 2537-48-6 Molecular Formula: C6H12NO3P Molecular Weight (g/mol): 177.14 MDL Number: MFCD00001893 InChI Key: KWMBADTWRIGGGG-UHFFFAOYSA-N Synonym: diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester PubChem CID: 75676 IUPAC Name: 2-diethoxyphosphorylacetonitrile SMILES: CCOP(=O)(CC#N)OCC
| PubChem CID | 75676 |
|---|---|
| CAS | 2537-48-6 |
| Molecular Weight (g/mol) | 177.14 |
| MDL Number | MFCD00001893 |
| SMILES | CCOP(=O)(CC#N)OCC |
| Synonym | diethyl cyanomethylphosphonate,diethyl cyanomethyl phosphonate,diethylphosphono acetonitrile,cyanomethylphosphonic acid diethyl ester,diethylphosphonoacetonitrile,diethylcyanomethylphosphonate,diethyl cyanomethanephosphonate,phosphonic acid, cyanomethyl-, diethyl ester,cyanomethyl phosphonic acid diethyl ester |
| IUPAC Name | 2-diethoxyphosphorylacetonitrile |
| InChI Key | KWMBADTWRIGGGG-UHFFFAOYSA-N |
| Molecular Formula | C6H12NO3P |
2-Fluoro-4-methoxyphenylboronic acid, 97%, Thermo Scientific™
CAS: 162101-31-7 Molecular Formula: C7H8BFO3 Molecular Weight (g/mol): 169.95 MDL Number: MFCD04039323 InChI Key: ULUIXJDBPYBAHS-UHFFFAOYSA-N Synonym: 2-fluoro-4-methoxybenzeneboronic acid,2-fluoro-4-methoxyphenyl boronic acid,4-borono-3-fluoroanisole,boronic acid, 2-fluoro-4-methoxyphenyl,boronic acid, b-2-fluoro-4-methoxyphenyl,2-fluoro-4-methoxyphenylboronicacid,pubchem15367,acmc-209dnv,ksc498a9p,2-fluoro-4methoxyphenylboronic acid PubChem CID: 15789384 IUPAC Name: (2-fluoro-4-methoxyphenyl)boronic acid SMILES: COC1=CC=C(B(O)O)C(F)=C1
| PubChem CID | 15789384 |
|---|---|
| CAS | 162101-31-7 |
| Molecular Weight (g/mol) | 169.95 |
| MDL Number | MFCD04039323 |
| SMILES | COC1=CC=C(B(O)O)C(F)=C1 |
| Synonym | 2-fluoro-4-methoxybenzeneboronic acid,2-fluoro-4-methoxyphenyl boronic acid,4-borono-3-fluoroanisole,boronic acid, 2-fluoro-4-methoxyphenyl,boronic acid, b-2-fluoro-4-methoxyphenyl,2-fluoro-4-methoxyphenylboronicacid,pubchem15367,acmc-209dnv,ksc498a9p,2-fluoro-4methoxyphenylboronic acid |
| IUPAC Name | (2-fluoro-4-methoxyphenyl)boronic acid |
| InChI Key | ULUIXJDBPYBAHS-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
5-Norbornene-2-carboxylic acid, 98%, mixture of endo and exo
CAS: 120-74-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.16 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O
| PubChem CID | 78949 |
|---|---|
| CAS | 120-74-1 |
| Molecular Weight (g/mol) | 138.16 |
| SMILES | C1C2CC(C1C=C2)C(=O)O |
| Synonym | 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid |
| IUPAC Name | bicyclo[2.2.1]hept-2-ene-5-carboxylic acid |
| InChI Key | FYGUSUBEMUKACF-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
n-Butyl acetate, 99+%, for spectroscopy
CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| PubChem CID | 31272 |
|---|---|
| CAS | 123-86-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31328 |
| MDL Number | MFCD00009445 |
| SMILES | CCCCOC(C)=O |
| Synonym | n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
2-Chloro-N,N-diethylacetamide, 97%
CAS: 2315-36-8 Molecular Formula: C6H12ClNO Molecular Weight (g/mol): 149.618 MDL Number: MFCD00000928 InChI Key: CQQUWTMMFMJEFE-UHFFFAOYSA-N Synonym: n,n-diethylchloroacetamide,cdea,acetamide, 2-chloro-n,n-diethyl,n,n-diethyl-2-chloroacetamide,n-chloroacetyldiethylamine,caswell no. 333g,diethylamid kyseliny chloroctove,alpha-chloro-n,n-diethylacetamide,.alpha.-chloro-n,n-diethylacetamide,n,n,-diethylchloroacetamide PubChem CID: 16844 IUPAC Name: 2-chloro-N,N-diethylacetamide SMILES: CCN(CC)C(=O)CCl
| PubChem CID | 16844 |
|---|---|
| CAS | 2315-36-8 |
| Molecular Weight (g/mol) | 149.618 |
| MDL Number | MFCD00000928 |
| SMILES | CCN(CC)C(=O)CCl |
| Synonym | n,n-diethylchloroacetamide,cdea,acetamide, 2-chloro-n,n-diethyl,n,n-diethyl-2-chloroacetamide,n-chloroacetyldiethylamine,caswell no. 333g,diethylamid kyseliny chloroctove,alpha-chloro-n,n-diethylacetamide,.alpha.-chloro-n,n-diethylacetamide,n,n,-diethylchloroacetamide |
| IUPAC Name | 2-chloro-N,N-diethylacetamide |
| InChI Key | CQQUWTMMFMJEFE-UHFFFAOYSA-N |
| Molecular Formula | C6H12ClNO |
4-tert-Butylbenzamide, 98%
CAS: 56108-12-4 Molecular Formula: C11H15NO MDL Number: MFCD00017139 Synonym: 4-tert-butyl benzamide,benzamide, 4-1,1-dimethylethyl,p-tert-butyl benzamide,4-tert-butyl benzenecarboxamide,unii-5e7907z6bm,4-1,1-dimethylethyl benzamide,p-t-butylbenzamide,4-t-butylbenzamide,acmc-20amap,butylbenzenecarboxamide
| CAS | 56108-12-4 |
|---|---|
| MDL Number | MFCD00017139 |
| Synonym | 4-tert-butyl benzamide,benzamide, 4-1,1-dimethylethyl,p-tert-butyl benzamide,4-tert-butyl benzenecarboxamide,unii-5e7907z6bm,4-1,1-dimethylethyl benzamide,p-t-butylbenzamide,4-t-butylbenzamide,acmc-20amap,butylbenzenecarboxamide |
| Molecular Formula | C11H15NO |
1-Phenyl-1-cyclopropanecarboxylic acid, 97%
CAS: 6120-95-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00001288 InChI Key: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonym: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid PubChem CID: 80206 IUPAC Name: 1-phenylcyclopropane-1-carboxylic acid SMILES: C1CC1(C2=CC=CC=C2)C(=O)O
| PubChem CID | 80206 |
|---|---|
| CAS | 6120-95-2 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00001288 |
| SMILES | C1CC1(C2=CC=CC=C2)C(=O)O |
| Synonym | 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid |
| IUPAC Name | 1-phenylcyclopropane-1-carboxylic acid |
| InChI Key | IWWCCNVRNHTGLV-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Dimethyl D-tartrate, 99%
CAS: 13171-64-7 Molecular Formula: C6H10O6 Molecular Weight (g/mol): 178.14 MDL Number: MFCD00008445 InChI Key: PVRATXCXJDHJJN-IMJSIDKUSA-N Synonym: dimethyl d-tartrate,--dimethyl d-tartrate,dimethyl d---tartrate,dimethyl 2s,3s-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-, dimethyl ester, 2s,3s,d---tartaric acid dimethyl ester,dl-dimethyl tartrate,dl-dimethyl tartarate,d--dimethyl d-tartrate,meso-tartaric acid, dimethyl ester PubChem CID: 21142 IUPAC Name: dimethyl (2S,3S)-2,3-dihydroxybutanedioate SMILES: COC(=O)C(C(C(=O)OC)O)O
| PubChem CID | 21142 |
|---|---|
| CAS | 13171-64-7 |
| Molecular Weight (g/mol) | 178.14 |
| MDL Number | MFCD00008445 |
| SMILES | COC(=O)C(C(C(=O)OC)O)O |
| Synonym | dimethyl d-tartrate,--dimethyl d-tartrate,dimethyl d---tartrate,dimethyl 2s,3s-2,3-dihydroxybutanedioate,butanedioic acid, 2,3-dihydroxy-, dimethyl ester, 2s,3s,d---tartaric acid dimethyl ester,dl-dimethyl tartrate,dl-dimethyl tartarate,d--dimethyl d-tartrate,meso-tartaric acid, dimethyl ester |
| IUPAC Name | dimethyl (2S,3S)-2,3-dihydroxybutanedioate |
| InChI Key | PVRATXCXJDHJJN-IMJSIDKUSA-N |
| Molecular Formula | C6H10O6 |
Isonicotinic acid hydrazide, 99%
CAS: 54-85-3 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006426 InChI Key: QRXWMOHMRWLFEY-UHFFFAOYSA-N Synonym: isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide PubChem CID: 3767 ChEBI: CHEBI:6030 IUPAC Name: pyridine-4-carbohydrazide SMILES: C1=CN=CC=C1C(=O)NN
| PubChem CID | 3767 |
|---|---|
| CAS | 54-85-3 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:6030 |
| MDL Number | MFCD00006426 |
| SMILES | C1=CN=CC=C1C(=O)NN |
| Synonym | isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide |
| IUPAC Name | pyridine-4-carbohydrazide |
| InChI Key | QRXWMOHMRWLFEY-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
4,4'-(Hexafluoroisopropylidene)diphthalic anhydride, 99%
CAS: 1107-00-2 Molecular Formula: C19H6F6O6 Molecular Weight (g/mol): 444.241 MDL Number: MFCD00039143 InChI Key: QHHKLPCQTTWFSS-UHFFFAOYSA-N Synonym: 4,4'-hexafluoroisopropylidene diphthalic anhydride,4,4'-hexafluoroisopropylidene diphthalicanhydride,5,5'-perfluoropropane-2,2-diyl bis isobenzofuran-1,3-dione,2,2-bis 3,4-anhydrodicarboxyphenyl hexafluoropropane,4,4'-hexafluoroisopropylidene bis phthalic anhydride,6fda,1,3-isobenzofurandione, 5,5'-2,2,2-trifluoro-1-trifluoromethyl ethylidene bis,2,2-bis 3,4-dicarboxyphenyl-1,1,1,3,3,3-hexafluoropropane dianhydride,5-2-1,3-dioxo-2-benzofuran-5-yl-1,1,1,3,3,3-hexafluoropropan-2-yl-2-benzofuran-1,3-dione,2,2'-bis-3,4-dicarboxyphenyl hexafluoropropane dianhydride PubChem CID: 70677 IUPAC Name: 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione SMILES: C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O
| PubChem CID | 70677 |
|---|---|
| CAS | 1107-00-2 |
| Molecular Weight (g/mol) | 444.241 |
| MDL Number | MFCD00039143 |
| SMILES | C1=CC2=C(C=C1C(C3=CC4=C(C=C3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)C(=O)OC2=O |
| Synonym | 4,4'-hexafluoroisopropylidene diphthalic anhydride,4,4'-hexafluoroisopropylidene diphthalicanhydride,5,5'-perfluoropropane-2,2-diyl bis isobenzofuran-1,3-dione,2,2-bis 3,4-anhydrodicarboxyphenyl hexafluoropropane,4,4'-hexafluoroisopropylidene bis phthalic anhydride,6fda,1,3-isobenzofurandione, 5,5'-2,2,2-trifluoro-1-trifluoromethyl ethylidene bis,2,2-bis 3,4-dicarboxyphenyl-1,1,1,3,3,3-hexafluoropropane dianhydride,5-2-1,3-dioxo-2-benzofuran-5-yl-1,1,1,3,3,3-hexafluoropropan-2-yl-2-benzofuran-1,3-dione,2,2'-bis-3,4-dicarboxyphenyl hexafluoropropane dianhydride |
| IUPAC Name | 5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione |
| InChI Key | QHHKLPCQTTWFSS-UHFFFAOYSA-N |
| Molecular Formula | C19H6F6O6 |
DL-Mercaptosuccinic acid, 99%
CAS: 70-49-5 Molecular Formula: C4H6O4S Molecular Weight (g/mol): 150.15 InChI Key: NJRXVEJTAYWCQJ-UHFFFAOYSA-N Synonym: mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid PubChem CID: 6268 ChEBI: CHEBI:38705 IUPAC Name: 2-sulfanylbutanedioic acid SMILES: C(C(C(=O)O)S)C(=O)O
| PubChem CID | 6268 |
|---|---|
| CAS | 70-49-5 |
| Molecular Weight (g/mol) | 150.15 |
| ChEBI | CHEBI:38705 |
| SMILES | C(C(C(=O)O)S)C(=O)O |
| Synonym | mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid |
| IUPAC Name | 2-sulfanylbutanedioic acid |
| InChI Key | NJRXVEJTAYWCQJ-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4S |
1-Thio-beta-D-glucose tetraacetate, 98+%
CAS: 19879-84-6 Molecular Formula: C14H20O9S Molecular Weight (g/mol): 364.37 MDL Number: MFCD00063271 InChI Key: SFOZKJGZNOBSHF-UHFFFAOYNA-N Synonym: 1-thio-beta-d-glucose tetraacetate,2r,3r,4s,5r,6s-2-acetoxymethyl-6-mercaptotetrahydro-2h-pyran-3,4,5-triyl triacetate,1-thio-b-d-glucose tetraacetate,1-thio-beta-d-glucose 2,3,4,6-tetraacetate,2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose,1-thio-,a-d-glucose tetraacetate,2r,3r,4s,5r,6s-3,4,5-tris acetyloxy-6-sulfanyloxan-2-yl methyl acetate,2,3,4,6-tetra-o-acetyl-1-thio-,a-d-glucopyranose,beta-d-thioglucose tetraacetate,1-thio-ss-d-glucose tetraacetate PubChem CID: 88293 IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 88293 |
|---|---|
| CAS | 19879-84-6 |
| Molecular Weight (g/mol) | 364.37 |
| MDL Number | MFCD00063271 |
| SMILES | CC(=O)OCC1OC(S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | 1-thio-beta-d-glucose tetraacetate,2r,3r,4s,5r,6s-2-acetoxymethyl-6-mercaptotetrahydro-2h-pyran-3,4,5-triyl triacetate,1-thio-b-d-glucose tetraacetate,1-thio-beta-d-glucose 2,3,4,6-tetraacetate,2,3,4,6-tetra-o-acetyl-1-thio-beta-d-glucopyranose,1-thio-,a-d-glucose tetraacetate,2r,3r,4s,5r,6s-3,4,5-tris acetyloxy-6-sulfanyloxan-2-yl methyl acetate,2,3,4,6-tetra-o-acetyl-1-thio-,a-d-glucopyranose,beta-d-thioglucose tetraacetate,1-thio-ss-d-glucose tetraacetate |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-sulfanyloxan-2-yl]methyl acetate |
| InChI Key | SFOZKJGZNOBSHF-UHFFFAOYNA-N |
| Molecular Formula | C14H20O9S |
3,4,6-Tri-O-acetyl-D-glucal, 98%, Thermo Scientific Chemicals
CAS: 2873-29-2 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.253 MDL Number: MFCD00063253 InChI Key: LLPWGHLVUPBSLP-UTUOFQBUSA-N Synonym: tri-o-acetyl-d-glucal,3,4,6-tri-o-acetyl-d-glucal,2r,3s,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-glucal triacetate,3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol,arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate,tri-o-acetylglucal,triacetyl-d-glucal,2r,3s,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,tri-o-acetyl-glucal PubChem CID: 688303 IUPAC Name: [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C
| PubChem CID | 688303 |
|---|---|
| CAS | 2873-29-2 |
| Molecular Weight (g/mol) | 272.253 |
| MDL Number | MFCD00063253 |
| SMILES | CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C |
| Synonym | tri-o-acetyl-d-glucal,3,4,6-tri-o-acetyl-d-glucal,2r,3s,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-glucal triacetate,3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol,arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate,tri-o-acetylglucal,triacetyl-d-glucal,2r,3s,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,tri-o-acetyl-glucal |
| IUPAC Name | [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UTUOFQBUSA-N |
| Molecular Formula | C12H16O7 |