Carboxylic acids and derivatives
Filtered Search Results
Calcium Gluconate Monohydrate 98.0+%, TCI America™
CAS: 299-28-5 Molecular Formula: C12H22CaO14 Molecular Weight (g/mol): 430.372 MDL Number: MFCD00064209 InChI Key: NEEHYRZPVYRGPP-IYEMJOQQSA-L Synonym: calcium gluconate,calcium d-gluconate,calciofon,calglucon,glucobiogen,ebucin,calcicol,calcipur,calglucol,dragocal PubChem CID: 9290 IUPAC Name: calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2]
| PubChem CID | 9290 |
|---|---|
| CAS | 299-28-5 |
| Molecular Weight (g/mol) | 430.372 |
| MDL Number | MFCD00064209 |
| SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Ca+2] |
| Synonym | calcium gluconate,calcium d-gluconate,calciofon,calglucon,glucobiogen,ebucin,calcicol,calcipur,calglucol,dragocal |
| IUPAC Name | calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | NEEHYRZPVYRGPP-IYEMJOQQSA-L |
| Molecular Formula | C12H22CaO14 |
3-Indoleacrylic Acid 98.0+%, TCI America™
CAS: 1204-06-4 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00005633 InChI Key: PLVPPLCLBIEYEA-AATRIKPKSA-N Synonym: 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van PubChem CID: 5375048 IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O
| PubChem CID | 5375048 |
|---|---|
| CAS | 1204-06-4 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD00005633 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O |
| Synonym | 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van |
| IUPAC Name | (E)-3-(1H-indol-3-yl)prop-2-enoic acid |
| InChI Key | PLVPPLCLBIEYEA-AATRIKPKSA-N |
| Molecular Formula | C11H9NO2 |
N,N,N',N'-Tetraacetylethylenediamine 98.0+%, TCI America™
CAS: 10543-57-4 Molecular Formula: C10H16N2O4 Molecular Weight (g/mol): 228.248 MDL Number: MFCD00014967 InChI Key: BGRWYDHXPHLNKA-UHFFFAOYSA-N Synonym: tetraacetylethylenediamine,n,n,n',n'-tetraacetylethylenediamine,taed,tetracetylethylenediamine,acetamide, n,n'-1,2-ethanediylbis n-acetyl,n,n'-ethylenebis n-acetylacetamide,unii-p411ed0n2b,n,n'-ethane-1,2-diyl bis n-acetylacetamide,n-acetyl-n-2-diacetylamino ethyl acetamide PubChem CID: 66347 IUPAC Name: N-acetyl-N-[2-(diacetylamino)ethyl]acetamide SMILES: CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
| PubChem CID | 66347 |
|---|---|
| CAS | 10543-57-4 |
| Molecular Weight (g/mol) | 228.248 |
| MDL Number | MFCD00014967 |
| SMILES | CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C |
| Synonym | tetraacetylethylenediamine,n,n,n',n'-tetraacetylethylenediamine,taed,tetracetylethylenediamine,acetamide, n,n'-1,2-ethanediylbis n-acetyl,n,n'-ethylenebis n-acetylacetamide,unii-p411ed0n2b,n,n'-ethane-1,2-diyl bis n-acetylacetamide,n-acetyl-n-2-diacetylamino ethyl acetamide |
| IUPAC Name | N-acetyl-N-[2-(diacetylamino)ethyl]acetamide |
| InChI Key | BGRWYDHXPHLNKA-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O4 |
Sebacic Dihydrazide 96.0+%, TCI America™
CAS: 925-83-7 Molecular Formula: C10H22N4O2 Molecular Weight (g/mol): 230.312 MDL Number: MFCD00039763 InChI Key: ZWLIYXJBOIDXLL-UHFFFAOYSA-N Synonym: Decanediohydrazide, Sebacohydrazide PubChem CID: 70219 IUPAC Name: decanedihydrazide SMILES: C(CCCCC(=O)NN)CCCC(=O)NN
| PubChem CID | 70219 |
|---|---|
| CAS | 925-83-7 |
| Molecular Weight (g/mol) | 230.312 |
| MDL Number | MFCD00039763 |
| SMILES | C(CCCCC(=O)NN)CCCC(=O)NN |
| Synonym | Decanediohydrazide, Sebacohydrazide |
| IUPAC Name | decanedihydrazide |
| InChI Key | ZWLIYXJBOIDXLL-UHFFFAOYSA-N |
| Molecular Formula | C10H22N4O2 |
Behenamide 75.0+%, TCI America™
CAS: 3061-75-4 Molecular Formula: C22H45NO Molecular Weight (g/mol): 339.608 MDL Number: MFCD00047905 InChI Key: ORAWFNKFUWGRJG-UHFFFAOYSA-N Synonym: behenamide,behenic acid amide,behenic amide,docosanamid,behenylamide,docsoamide,kemamide b,uniwax 1747,acmc-209hhe,behenic amide, tech PubChem CID: 76468 IUPAC Name: docosanamide SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)N
| PubChem CID | 76468 |
|---|---|
| CAS | 3061-75-4 |
| Molecular Weight (g/mol) | 339.608 |
| MDL Number | MFCD00047905 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)N |
| Synonym | behenamide,behenic acid amide,behenic amide,docosanamid,behenylamide,docsoamide,kemamide b,uniwax 1747,acmc-209hhe,behenic amide, tech |
| IUPAC Name | docosanamide |
| InChI Key | ORAWFNKFUWGRJG-UHFFFAOYSA-N |
| Molecular Formula | C22H45NO |
4,4'-(Hexafluoroisopropylidene)diphthalic Anhydride (purified by sublimation) 99.0+%, TCI America™
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 |
1-Naphthaleneacetic Acid 98.0+%, TCI America™
CAS: 86-87-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004046 InChI Key: PRPINYUDVPFIRX-UHFFFAOYSA-N Synonym: 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop PubChem CID: 6862 ChEBI: CHEBI:32918 IUPAC Name: 2-(naphthalen-1-yl)acetic acid SMILES: OC(=O)CC1=C2C=CC=CC2=CC=C1
| PubChem CID | 6862 |
|---|---|
| CAS | 86-87-3 |
| Molecular Weight (g/mol) | 186.21 |
| ChEBI | CHEBI:32918 |
| MDL Number | MFCD00004046 |
| SMILES | OC(=O)CC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop |
| IUPAC Name | 2-(naphthalen-1-yl)acetic acid |
| InChI Key | PRPINYUDVPFIRX-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
1,3,5-Benzenetricarboxylic Acid 98.0+%, TCI America™
CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
| PubChem CID | 11138 |
|---|---|
| CAS | 554-95-0 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:46032 |
| MDL Number | MFCD00002517 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
| Synonym | trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 |
| IUPAC Name | benzene-1,3,5-tricarboxylic acid |
| InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
5-Norbornene-2-carboxylic Acid 98.0+%, TCI America™
CAS: 120-74-1 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00085356 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) | 138.166 |
| MDL Number | MFCD00085356 |
| 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 |
Trifluoroacetic Anhydride 98.0+%, TCI America™
CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 IUPAC Name: 2,2,2-trifluoroacetyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F
| PubChem CID | 9845 |
|---|---|
| CAS | 407-25-0 |
| Molecular Weight (g/mol) | 210.03 |
| MDL Number | MFCD00000416 |
| SMILES | FC(F)(F)C(=O)OC(=O)C(F)(F)F |
| Synonym | trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove |
| IUPAC Name | 2,2,2-trifluoroacetyl 2,2,2-trifluoroacetate |
| InChI Key | QAEDZJGFFMLHHQ-UHFFFAOYSA-N |
| Molecular Formula | C4F6O3 |
Tributyl Citrate 98.0+%, TCI America™
CAS: 77-94-1 Molecular Formula: C18H32O7 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00027217 InChI Key: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N Synonym: tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester PubChem CID: 6507 IUPAC Name: 1,2,3-tributyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
| PubChem CID | 6507 |
|---|---|
| CAS | 77-94-1 |
| Molecular Weight (g/mol) | 360.45 |
| MDL Number | MFCD00027217 |
| SMILES | CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC |
| Synonym | tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester |
| IUPAC Name | 1,2,3-tributyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
| Molecular Formula | C18H32O7 |
Ethyl Lactate 98.0+%, TCI America™
CAS: 97-64-3 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00065359 InChI Key: LZCLXQDLBQLTDK-UHFFFAOYSA-N Synonym: ethyl lactate,actylol,acytol,solactol,lactic acid, ethyl ester,propanoic acid, 2-hydroxy-, ethyl ester,lactate d'ethyle,2-hydroxypropanoic acid ethyl ester,ethyl 2-hydroxypropionate,ethyl alpha-hydroxypropionate PubChem CID: 7344 ChEBI: CHEBI:78321 IUPAC Name: ethyl 2-hydroxypropanoate SMILES: CCOC(=O)C(C)O
| PubChem CID | 7344 |
|---|---|
| CAS | 97-64-3 |
| Molecular Weight (g/mol) | 118.132 |
| ChEBI | CHEBI:78321 |
| MDL Number | MFCD00065359 |
| SMILES | CCOC(=O)C(C)O |
| Synonym | ethyl lactate,actylol,acytol,solactol,lactic acid, ethyl ester,propanoic acid, 2-hydroxy-, ethyl ester,lactate d'ethyle,2-hydroxypropanoic acid ethyl ester,ethyl 2-hydroxypropionate,ethyl alpha-hydroxypropionate |
| IUPAC Name | ethyl 2-hydroxypropanoate |
| InChI Key | LZCLXQDLBQLTDK-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
Dess-Martin Periodinane 95.0+%, TCI America™
CAS: 87413-09-0 Molecular Formula: C13H13IO8 Molecular Weight (g/mol): 424.14 MDL Number: MFCD00130127 InChI Key: NKLCNNUWBJBICK-UHFFFAOYSA-N Synonym: dess-martin periodinane,triacetoxyperiodinane,1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3 1h-one,dess-martin reagent,dess-martinperiodinane,dess-martin,dess martin periodinane,dess martin,dess-martin periodane PubChem CID: 159087 IUPAC Name: 1,1-bis(acetyloxy)-3-oxo-3H-1λ⁵,2-benziodaoxol-1-yl acetate SMILES: CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12
| PubChem CID | 159087 |
|---|---|
| CAS | 87413-09-0 |
| Molecular Weight (g/mol) | 424.14 |
| MDL Number | MFCD00130127 |
| SMILES | CC(=O)O[I]1(OC(C)=O)(OC(C)=O)OC(=O)C2=CC=CC=C12 |
| Synonym | dess-martin periodinane,triacetoxyperiodinane,1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3 1h-one,dess-martin reagent,dess-martinperiodinane,dess-martin,dess martin periodinane,dess martin,dess-martin periodane |
| IUPAC Name | 1,1-bis(acetyloxy)-3-oxo-3H-1λ⁵,2-benziodaoxol-1-yl acetate |
| InChI Key | NKLCNNUWBJBICK-UHFFFAOYSA-N |
| Molecular Formula | C13H13IO8 |
tert-Butyl carbazate, 98+%
CAS: 870-46-2 Molecular Formula: C5H12N2O2 Molecular Weight (g/mol): 132.163 MDL Number: MFCD00007593 InChI Key: DKACXUFSLUYRFU-UHFFFAOYSA-N Synonym: tert-butyl carbazate,tert-butyl hydrazinecarboxylate,t-butyl carbazate,hydrazinecarboxylic acid, 1,1-dimethylethyl ester,t-butylcarbazate,tert-butoxycarbonyl hydrazide,boc-hydrazide,boc-hydrazine,tert-butoxycarbonyl hydrazine,carbazic acid tert-butyl ester PubChem CID: 70091 IUPAC Name: tert-butyl N-aminocarbamate SMILES: CC(C)(C)OC(=O)NN
| PubChem CID | 70091 |
|---|---|
| CAS | 870-46-2 |
| Molecular Weight (g/mol) | 132.163 |
| MDL Number | MFCD00007593 |
| SMILES | CC(C)(C)OC(=O)NN |
| Synonym | tert-butyl carbazate,tert-butyl hydrazinecarboxylate,t-butyl carbazate,hydrazinecarboxylic acid, 1,1-dimethylethyl ester,t-butylcarbazate,tert-butoxycarbonyl hydrazide,boc-hydrazide,boc-hydrazine,tert-butoxycarbonyl hydrazine,carbazic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-aminocarbamate |
| InChI Key | DKACXUFSLUYRFU-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2O2 |
Thermo Scientific Chemicals (-)-Epigallocatechin gallate, 95%
CAS: 989-51-5 Molecular Formula: C22H18O11 Molecular Weight (g/mol): 458.37 InChI Key: WMBWREPUVVBILR-WIYYLYMNSA-N Synonym: =--epigallocatechin gallate,egcg,epigallocatechin gallate,epigallocatechin 3-gallate,tea catechin,epigallocatechin-3-gallate,=--epigallocatechin-3-o-gallate,teavigo,=--epigallocatechol gallate,epigallocatechin-3-monogallate PubChem CID: 65064 ChEBI: CHEBI:4806 IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
| PubChem CID | 65064 |
|---|---|
| CAS | 989-51-5 |
| Molecular Weight (g/mol) | 458.37 |
| ChEBI | CHEBI:4806 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| Synonym | =--epigallocatechin gallate,egcg,epigallocatechin gallate,epigallocatechin 3-gallate,tea catechin,epigallocatechin-3-gallate,=--epigallocatechin-3-o-gallate,teavigo,=--epigallocatechol gallate,epigallocatechin-3-monogallate |
| IUPAC Name | [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| InChI Key | WMBWREPUVVBILR-WIYYLYMNSA-N |
| Molecular Formula | C22H18O11 |