Organic acids and derivatives
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(R)-(-)-1,1'-Binaphthyl-2,2'-diyl Bis(trifluoromethanesulfonate) 96.0+%, TCI America™
CAS: 126613-06-7 Molecular Formula: C22H12F6O6S2 Molecular Weight (g/mol): 550.44 MDL Number: MFCD00274615 InChI Key: OYJLCOSEYYZULE-UHFFFAOYSA-N Synonym: r-1,1'-binaphthalene-2,2'-diyl bis trifluoromethanesulfonate,s-1,1'-binaphthalene-2,2'-diyl bis trifluoromethanesulfonate,r---1,1'-bi-2-naphthol bis trifluoromethanesulfonate,r---1,1'-binaphthol-2,2'-bis trifluoromethanesulfonate,s-+-1,1'-bi-2-naphthol bis trifluoromethanesulfonate,r-1,1'-binaphthyl-2,2'-diyl bis trifluoromethane sulphonate,s-+-1,1'-binaphthol-2,2'-bis trifluoromethanesulfonate,1,1'-bi-2-naphthol bis trifluoromethanesulfonate,s-1,1'-bi 2-naphthol bis trifluoromethanesulfonate,r---binol-tf2 PubChem CID: 389883 IUPAC Name: 2'-(trifluoromethanesulfonyloxy)-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate SMILES: FC(F)(F)S(=O)(=O)OC1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1OS(=O)(=O)C(F)(F)F
| PubChem CID | 389883 |
|---|---|
| CAS | 126613-06-7 |
| Molecular Weight (g/mol) | 550.44 |
| MDL Number | MFCD00274615 |
| SMILES | FC(F)(F)S(=O)(=O)OC1=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1OS(=O)(=O)C(F)(F)F |
| Synonym | r-1,1'-binaphthalene-2,2'-diyl bis trifluoromethanesulfonate,s-1,1'-binaphthalene-2,2'-diyl bis trifluoromethanesulfonate,r---1,1'-bi-2-naphthol bis trifluoromethanesulfonate,r---1,1'-binaphthol-2,2'-bis trifluoromethanesulfonate,s-+-1,1'-bi-2-naphthol bis trifluoromethanesulfonate,r-1,1'-binaphthyl-2,2'-diyl bis trifluoromethane sulphonate,s-+-1,1'-binaphthol-2,2'-bis trifluoromethanesulfonate,1,1'-bi-2-naphthol bis trifluoromethanesulfonate,s-1,1'-bi 2-naphthol bis trifluoromethanesulfonate,r---binol-tf2 |
| IUPAC Name | 2'-(trifluoromethanesulfonyloxy)-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate |
| InChI Key | OYJLCOSEYYZULE-UHFFFAOYSA-N |
| Molecular Formula | C22H12F6O6S2 |
Ethyl 6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate 98.0+%, TCI America™
CAS: 5395-36-8 Molecular Formula: C14H16N2O3 Molecular Weight (g/mol): 260.293 MDL Number: MFCD00124778 InChI Key: URMNHHAUVFEMIG-UHFFFAOYSA-N Synonym: 6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid Ethyl Ester PubChem CID: 220272 IUPAC Name: ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate SMILES: CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C
| PubChem CID | 220272 |
|---|---|
| CAS | 5395-36-8 |
| Molecular Weight (g/mol) | 260.293 |
| MDL Number | MFCD00124778 |
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C |
| Synonym | 6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate |
| InChI Key | URMNHHAUVFEMIG-UHFFFAOYSA-N |
| Molecular Formula | C14H16N2O3 |
cis-3-Hexenyl Acetate 97.0+%, TCI America™
CAS: 3681-71-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00036563 InChI Key: NPFVOOAXDOBMCE-PLNGDYQASA-N Synonym: cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate PubChem CID: 5363388 ChEBI: CHEBI:61316 IUPAC Name: [(Z)-hex-3-enyl] acetate SMILES: CCC=CCCOC(=O)C
| PubChem CID | 5363388 |
|---|---|
| CAS | 3681-71-8 |
| Molecular Weight (g/mol) | 142.198 |
| ChEBI | CHEBI:61316 |
| MDL Number | MFCD00036563 |
| SMILES | CCC=CCCOC(=O)C |
| Synonym | cis-3-hexenyl acetate,z-3-hexenyl acetate,z-hex-3-enyl acetate,3-hexenylacetate,cis-3-hexenyl ethanoate,cis-3-hexen-1-yl acetate,leaf acetate,3-hexen-1-ol, acetate, z,cis-3-hexenol acetate,3z-hex-3-en-1-yl acetate |
| IUPAC Name | [(Z)-hex-3-enyl] acetate |
| InChI Key | NPFVOOAXDOBMCE-PLNGDYQASA-N |
| Molecular Formula | C8H14O2 |
4'-Fluoro-2'-nitroacetanilide 98.0+%, TCI America™
CAS: 448-39-5 Molecular Formula: C8H7FN2O3 Molecular Weight (g/mol): 198.153 MDL Number: MFCD00031517 InChI Key: UZBZEUCQENVPQB-UHFFFAOYSA-N Synonym: 4'-fluoro-2'-nitroacetanilide,n-4-fluoro-2-nitrophenyl acetamide,4-fluoro-2-nitroacetanilide,maybridge1_003501,4/'-fluoro-2/'-nitroacetanilide,labotest-bb lt00455473,labotest-bb lt03332301,acetamide,n-4-fluoro-2-nitrophenyl,n-4-fluoro-2-nitro-phenyl-acetamide,n-4-fluoro-2-nitrophenyl acetamide # PubChem CID: 136289 IUPAC Name: N-(4-fluoro-2-nitrophenyl)acetamide SMILES: CC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 136289 |
|---|---|
| CAS | 448-39-5 |
| Molecular Weight (g/mol) | 198.153 |
| MDL Number | MFCD00031517 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4'-fluoro-2'-nitroacetanilide,n-4-fluoro-2-nitrophenyl acetamide,4-fluoro-2-nitroacetanilide,maybridge1_003501,4/'-fluoro-2/'-nitroacetanilide,labotest-bb lt00455473,labotest-bb lt03332301,acetamide,n-4-fluoro-2-nitrophenyl,n-4-fluoro-2-nitro-phenyl-acetamide,n-4-fluoro-2-nitrophenyl acetamide # |
| IUPAC Name | N-(4-fluoro-2-nitrophenyl)acetamide |
| InChI Key | UZBZEUCQENVPQB-UHFFFAOYSA-N |
| Molecular Formula | C8H7FN2O3 |
Diethyl Fluoromalonate 95.0+%, TCI America™
CAS: 685-88-1 Molecular Formula: C7H11FO4 Molecular Weight (g/mol): 178.159 MDL Number: MFCD00009139 InChI Key: GOWQBFVDZPZZFA-UHFFFAOYSA-N PubChem CID: 12702 IUPAC Name: diethyl 2-fluoropropanedioate SMILES: CCOC(=O)C(C(=O)OCC)F
| PubChem CID | 12702 |
|---|---|
| CAS | 685-88-1 |
| Molecular Weight (g/mol) | 178.159 |
| MDL Number | MFCD00009139 |
| SMILES | CCOC(=O)C(C(=O)OCC)F |
| IUPAC Name | diethyl 2-fluoropropanedioate |
| InChI Key | GOWQBFVDZPZZFA-UHFFFAOYSA-N |
| Molecular Formula | C7H11FO4 |
Ethyl Formate 98.0+%, TCI America™
CAS: 109-94-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003294 InChI Key: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonym: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat PubChem CID: 8025 ChEBI: CHEBI:52342 IUPAC Name: ethyl formate SMILES: CCOC=O
| PubChem CID | 8025 |
|---|---|
| CAS | 109-94-4 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:52342 |
| MDL Number | MFCD00003294 |
| SMILES | CCOC=O |
| Synonym | areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat |
| IUPAC Name | ethyl formate |
| InChI Key | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Propyl Formate 95.0+%, TCI America™
CAS: 110-74-7 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00003295 InChI Key: KFNNIILCVOLYIR-UHFFFAOYSA-N Synonym: formic acid, propyl ester,n-propyl formate,propyl methanoate,formiate de propyle,formic acid propyl ester,propylester kyseliny mravenci,unii-wo1arv6gtw,formiate de propyle french,fema no. 2943,wo1arv6gtw PubChem CID: 8073 IUPAC Name: propyl formate SMILES: CCCOC=O
| PubChem CID | 8073 |
|---|---|
| CAS | 110-74-7 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00003295 |
| SMILES | CCCOC=O |
| Synonym | formic acid, propyl ester,n-propyl formate,propyl methanoate,formiate de propyle,formic acid propyl ester,propylester kyseliny mravenci,unii-wo1arv6gtw,formiate de propyle french,fema no. 2943,wo1arv6gtw |
| IUPAC Name | propyl formate |
| InChI Key | KFNNIILCVOLYIR-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Diethyl Fumarate 98.0+%, TCI America™
CAS: 623-91-6 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00064455 InChI Key: IEPRKVQEAMIZSS-AATRIKPKSA-N Synonym: diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a PubChem CID: 638144 ChEBI: CHEBI:87388 IUPAC Name: 1,4-diethyl (2E)-but-2-enedioate SMILES: CCOC(=O)\C=C\C(=O)OCC
| PubChem CID | 638144 |
|---|---|
| CAS | 623-91-6 |
| Molecular Weight (g/mol) | 172.18 |
| ChEBI | CHEBI:87388 |
| MDL Number | MFCD00064455 |
| SMILES | CCOC(=O)\C=C\C(=O)OCC |
| Synonym | diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a |
| IUPAC Name | 1,4-diethyl (2E)-but-2-enedioate |
| InChI Key | IEPRKVQEAMIZSS-AATRIKPKSA-N |
| Molecular Formula | C8H12O4 |
Isoamyl Formate 95.0+%, TCI America™
CAS: 110-45-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00021049 InChI Key: XKYICAQFSCFURC-UHFFFAOYSA-N Synonym: Formic Acid Isoamyl Ester PubChem CID: 8052 ChEBI: CHEBI:31726 IUPAC Name: 3-methylbutyl formate SMILES: CC(C)CCOC=O
| PubChem CID | 8052 |
|---|---|
| CAS | 110-45-2 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31726 |
| MDL Number | MFCD00021049 |
| SMILES | CC(C)CCOC=O |
| Synonym | Formic Acid Isoamyl Ester |
| IUPAC Name | 3-methylbutyl formate |
| InChI Key | XKYICAQFSCFURC-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Dimethyl Fumarate 98.0+%, TCI America™
CAS: 624-49-7 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.126 MDL Number: MFCD00064438 InChI Key: LDCRTTXIJACKKU-ONEGZZNKSA-N Synonym: dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate PubChem CID: 637568 ChEBI: CHEBI:76004 IUPAC Name: dimethyl (E)-but-2-enedioate SMILES: COC(=O)C=CC(=O)OC
| PubChem CID | 637568 |
|---|---|
| CAS | 624-49-7 |
| Molecular Weight (g/mol) | 144.126 |
| ChEBI | CHEBI:76004 |
| MDL Number | MFCD00064438 |
| SMILES | COC(=O)C=CC(=O)OC |
| Synonym | dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate |
| IUPAC Name | dimethyl (E)-but-2-enedioate |
| InChI Key | LDCRTTXIJACKKU-ONEGZZNKSA-N |
| Molecular Formula | C6H8O4 |
Methyl Benzenesulfonate 98.0+%, TCI America™
CAS: 80-18-2 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00014737 InChI Key: CZXGXYBOQYQXQD-UHFFFAOYSA-N Synonym: benzenesulfonic acid, methyl ester,methyl benzenesulphonate,methyl besylate,methylbenzenesulfonate,ccris 9156,benzenesulfonic acid methyl ester,methyl benzene sulfonate,methyl ester of benzenesulphonic acid,methylbenzene sulfonate,pubchem22730 PubChem CID: 6630 IUPAC Name: methyl benzenesulfonate SMILES: COS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 6630 |
|---|---|
| CAS | 80-18-2 |
| Molecular Weight (g/mol) | 172.20 |
| MDL Number | MFCD00014737 |
| SMILES | COS(=O)(=O)C1=CC=CC=C1 |
| Synonym | benzenesulfonic acid, methyl ester,methyl benzenesulphonate,methyl besylate,methylbenzenesulfonate,ccris 9156,benzenesulfonic acid methyl ester,methyl benzene sulfonate,methyl ester of benzenesulphonic acid,methylbenzene sulfonate,pubchem22730 |
| IUPAC Name | methyl benzenesulfonate |
| InChI Key | CZXGXYBOQYQXQD-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3S |
Monosodium Succinate 98.0+%, TCI America™
CAS: 2922-54-5 Molecular Formula: C4H5NaO4 Molecular Weight (g/mol): 140.07 MDL Number: MFCD00050993 InChI Key: KZQSXALQTHVPDQ-UHFFFAOYSA-M Synonym: Sodium Bisuccinate, Sodium Hydrogen Succinate, Succinic Acid Monosodium Salt PubChem CID: 23690498 IUPAC Name: sodium;4-hydroxy-4-oxobutanoate SMILES: C(CC(=O)[O-])C(=O)O.[Na+]
| PubChem CID | 23690498 |
|---|---|
| CAS | 2922-54-5 |
| Molecular Weight (g/mol) | 140.07 |
| MDL Number | MFCD00050993 |
| SMILES | C(CC(=O)[O-])C(=O)O.[Na+] |
| Synonym | Sodium Bisuccinate, Sodium Hydrogen Succinate, Succinic Acid Monosodium Salt |
| IUPAC Name | sodium;4-hydroxy-4-oxobutanoate |
| InChI Key | KZQSXALQTHVPDQ-UHFFFAOYSA-M |
| Molecular Formula | C4H5NaO4 |
3-Benzalphthalide 99.0+%, TCI America™
CAS: 575-61-1 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00005929 InChI Key: YRTPZXMEBGTPLM-GXDHUFHOSA-N Synonym: benzylidenephthalide,unii-c9e8s3agyq,escalol 547,c9e8s3agyq,3-benzylidenephthalide,3-benzalphthalide,phthalide, 3-benzylidene,1 3h-isobenzofuranane, 3-phenylmethylene,3-benzylidene-2-benzofuran-1 3h-one,3-phenylmethylene-1 3h-isobenzofuranone PubChem CID: 700611 IUPAC Name: (3E)-3-benzylidene-2-benzofuran-1-one SMILES: C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2
| PubChem CID | 700611 |
|---|---|
| CAS | 575-61-1 |
| Molecular Weight (g/mol) | 222.243 |
| MDL Number | MFCD00005929 |
| SMILES | C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)O2 |
| Synonym | benzylidenephthalide,unii-c9e8s3agyq,escalol 547,c9e8s3agyq,3-benzylidenephthalide,3-benzalphthalide,phthalide, 3-benzylidene,1 3h-isobenzofuranane, 3-phenylmethylene,3-benzylidene-2-benzofuran-1 3h-one,3-phenylmethylene-1 3h-isobenzofuranone |
| IUPAC Name | (3E)-3-benzylidene-2-benzofuran-1-one |
| InChI Key | YRTPZXMEBGTPLM-GXDHUFHOSA-N |
| Molecular Formula | C15H10O2 |
Sodium 1-Hexadecanesulfonate, TCI America™
CAS: 15015-81-3 Molecular Formula: C16H33NaO3S Molecular Weight (g/mol): 328.487 MDL Number: MFCD00007528 InChI Key: PNGBYKXZVCIZRN-UHFFFAOYSA-M Synonym: sodium cetylsulfonate,sodium 1-hexadecanesulfonate,1-hexadecanesulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt,sodium hexadecane-1-sulfonate,unii-sk4e885p15,sodium hexadecane-1-sulphonate,cetylsulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt 1:1,hexadecylsulfonic acid sodium salt PubChem CID: 23665769 IUPAC Name: sodium;hexadecane-1-sulfonate SMILES: CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23665769 |
|---|---|
| CAS | 15015-81-3 |
| Molecular Weight (g/mol) | 328.487 |
| MDL Number | MFCD00007528 |
| SMILES | CCCCCCCCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium cetylsulfonate,sodium 1-hexadecanesulfonate,1-hexadecanesulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt,sodium hexadecane-1-sulfonate,unii-sk4e885p15,sodium hexadecane-1-sulphonate,cetylsulfonic acid sodium salt,1-hexadecanesulfonic acid, sodium salt 1:1,hexadecylsulfonic acid sodium salt |
| IUPAC Name | sodium;hexadecane-1-sulfonate |
| InChI Key | PNGBYKXZVCIZRN-UHFFFAOYSA-M |
| Molecular Formula | C16H33NaO3S |