Organic acids and derivatives
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4-Methoxy-2-(trimethylsilyl)phenyl Trifluoromethanesulfonate 95.0+%, TCI America™
CAS: 556812-41-0 Molecular Formula: C11H15F3O4SSi Molecular Weight (g/mol): 328.377 InChI Key: IPZYLSPWZUDOHB-UHFFFAOYSA-N Synonym: 4-Methoxy-2-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 4-Methoxy-2-(trimethylsilyl)phenyl Ester PubChem CID: 12182644 IUPAC Name: (4-methoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate SMILES: COC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C
| PubChem CID | 12182644 |
|---|---|
| CAS | 556812-41-0 |
| Molecular Weight (g/mol) | 328.377 |
| SMILES | COC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C |
| Synonym | 4-Methoxy-2-(trimethylsilyl)phenyl Triflate, Trifluoromethanesulfonic Acid 4-Methoxy-2-(trimethylsilyl)phenyl Ester |
| IUPAC Name | (4-methoxy-2-trimethylsilylphenyl) trifluoromethanesulfonate |
| InChI Key | IPZYLSPWZUDOHB-UHFFFAOYSA-N |
| Molecular Formula | C11H15F3O4SSi |
1-(Methylsulfonyl)piperazine 98.0+%, TCI America™
CAS: 55276-43-2 Molecular Formula: C5H13N2O2S Molecular Weight (g/mol): 165.23 MDL Number: MFCD02153225 InChI Key: ZZAKLGGGMWORRT-UHFFFAOYSA-O Synonym: 1-methylsulfonyl piperazine,1-methanesulfonylpiperazine,1-methanesulfonyl-piperazine,1-methylsulfonyl-piperazine,1-methylsulphonyl piperazine,methylsulfonyl piperazine,piperazine, 1-methylsulfonyl,1-n-methanesulfonylpiperazine,4-methylsulfonylpiperazine,n-mesylpiperazine PubChem CID: 709161 IUPAC Name: 4-methanesulfonylpiperazin-1-ium SMILES: CS(=O)(=O)N1CC[NH2+]CC1
| PubChem CID | 709161 |
|---|---|
| CAS | 55276-43-2 |
| Molecular Weight (g/mol) | 165.23 |
| MDL Number | MFCD02153225 |
| SMILES | CS(=O)(=O)N1CC[NH2+]CC1 |
| Synonym | 1-methylsulfonyl piperazine,1-methanesulfonylpiperazine,1-methanesulfonyl-piperazine,1-methylsulfonyl-piperazine,1-methylsulphonyl piperazine,methylsulfonyl piperazine,piperazine, 1-methylsulfonyl,1-n-methanesulfonylpiperazine,4-methylsulfonylpiperazine,n-mesylpiperazine |
| IUPAC Name | 4-methanesulfonylpiperazin-1-ium |
| InChI Key | ZZAKLGGGMWORRT-UHFFFAOYSA-O |
| Molecular Formula | C5H13N2O2S |
Ethyl 2-Ethyl-2-methylacetoacetate 93.0+%, TCI America™
CAS: 33697-53-9 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00191433 InChI Key: NWMTWESXONQJPU-UHFFFAOYSA-N Synonym: 2-Ethyl-2-methylacetoacetic Acid Ethyl Ester PubChem CID: 582452 IUPAC Name: ethyl 2-ethyl-2-methyl-3-oxobutanoate SMILES: CCC(C)(C(=O)C)C(=O)OCC
| PubChem CID | 582452 |
|---|---|
| CAS | 33697-53-9 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD00191433 |
| SMILES | CCC(C)(C(=O)C)C(=O)OCC |
| Synonym | 2-Ethyl-2-methylacetoacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-ethyl-2-methyl-3-oxobutanoate |
| InChI Key | NWMTWESXONQJPU-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Lumazine 99.0+%, TCI America™
CAS: 487-21-8 Molecular Formula: C6H4N4O2 Molecular Weight (g/mol): 164.12 MDL Number: MFCD00066250 InChI Key: UYEUUXMDVNYCAM-UHFFFAOYSA-N Synonym: lumazine,2,4-pteridinediol,2,4-dihydroxypteridine,2,4 1h,3h-pteridinedione,pteridine-2,4-dione,lumazin,2,4 3h,8h-pteridinedione,pteridine-2,4 1h,3h-dione,pteridine-2,4-diol,unii-260mf9u4wc PubChem CID: 10250 ChEBI: CHEBI:16489 IUPAC Name: 1,2,3,4-tetrahydropteridine-2,4-dione SMILES: O=C1NC(=O)C2=NC=CN=C2N1
| PubChem CID | 10250 |
|---|---|
| CAS | 487-21-8 |
| Molecular Weight (g/mol) | 164.12 |
| ChEBI | CHEBI:16489 |
| MDL Number | MFCD00066250 |
| SMILES | O=C1NC(=O)C2=NC=CN=C2N1 |
| Synonym | lumazine,2,4-pteridinediol,2,4-dihydroxypteridine,2,4 1h,3h-pteridinedione,pteridine-2,4-dione,lumazin,2,4 3h,8h-pteridinedione,pteridine-2,4 1h,3h-dione,pteridine-2,4-diol,unii-260mf9u4wc |
| IUPAC Name | 1,2,3,4-tetrahydropteridine-2,4-dione |
| InChI Key | UYEUUXMDVNYCAM-UHFFFAOYSA-N |
| Molecular Formula | C6H4N4O2 |
Diethyl Maleate 90.0+%, TCI America™
CAS: 141-05-9 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00009191 InChI Key: IEPRKVQEAMIZSS-WAYWQWQTSA-N Synonym: diethyl maleate,ethyl maleate,maleic acid, diethyl ester,diethylmaleate,maleic acid diethyl ester,2-butenedioic acid z-, diethyl ester,diethyl z-but-2-enedioate,diethyl 2z-but-2-enedioate,unii-g81wqb56ol,ccris 941 PubChem CID: 5271566 ChEBI: CHEBI:68508 IUPAC Name: diethyl (Z)-but-2-enedioate SMILES: CCOC(=O)C=CC(=O)OCC
| PubChem CID | 5271566 |
|---|---|
| CAS | 141-05-9 |
| Molecular Weight (g/mol) | 172.18 |
| ChEBI | CHEBI:68508 |
| MDL Number | MFCD00009191 |
| SMILES | CCOC(=O)C=CC(=O)OCC |
| Synonym | diethyl maleate,ethyl maleate,maleic acid, diethyl ester,diethylmaleate,maleic acid diethyl ester,2-butenedioic acid z-, diethyl ester,diethyl z-but-2-enedioate,diethyl 2z-but-2-enedioate,unii-g81wqb56ol,ccris 941 |
| IUPAC Name | diethyl (Z)-but-2-enedioate |
| InChI Key | IEPRKVQEAMIZSS-WAYWQWQTSA-N |
| Molecular Formula | C8H12O4 |
3,3'-Bis(trimethylsilyl)biphenyl-4,4'-diyl Bis(trifluoromethanesulfonate) 98.0+%, TCI America™
CAS: 828282-80-0 Molecular Formula: C20H24F6O6S2Si2 Molecular Weight (g/mol): 594.686 InChI Key: FDAGZCNNWNNCEK-UHFFFAOYSA-N PubChem CID: 12182649 IUPAC Name: [4-[4-(trifluoromethylsulfonyloxy)-3-trimethylsilylphenyl]-2-trimethylsilylphenyl] trifluoromethanesulfonate SMILES: C[Si](C)(C)C1=C(C=CC(=C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
| PubChem CID | 12182649 |
|---|---|
| CAS | 828282-80-0 |
| Molecular Weight (g/mol) | 594.686 |
| SMILES | C[Si](C)(C)C1=C(C=CC(=C1)C2=CC(=C(C=C2)OS(=O)(=O)C(F)(F)F)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F |
| IUPAC Name | [4-[4-(trifluoromethylsulfonyloxy)-3-trimethylsilylphenyl]-2-trimethylsilylphenyl] trifluoromethanesulfonate |
| InChI Key | FDAGZCNNWNNCEK-UHFFFAOYSA-N |
| Molecular Formula | C20H24F6O6S2Si2 |
Phthalimidoacetaldehyde 98.0+%, TCI America™
CAS: 2913-97-5 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00023080 InChI Key: LMRDBJZQDUVCQH-UHFFFAOYSA-N Synonym: N-(Formylmethyl)phthalimide PubChem CID: 76201 IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)acetaldehyde SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CC=O
| PubChem CID | 76201 |
|---|---|
| CAS | 2913-97-5 |
| Molecular Weight (g/mol) | 189.17 |
| MDL Number | MFCD00023080 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC=O |
| Synonym | N-(Formylmethyl)phthalimide |
| IUPAC Name | 2-(1,3-dioxoisoindol-2-yl)acetaldehyde |
| InChI Key | LMRDBJZQDUVCQH-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO3 |
Ethyl (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyrate 97.0+%, TCI America™
CAS: 88767-98-0 Molecular Formula: C13H15F3O5S Molecular Weight (g/mol): 340.313 MDL Number: MFCD09751096 InChI Key: UDJNHUAEPSYCRU-LLVKDONJSA-N Synonym: (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyric Acid Ethyl Ester PubChem CID: 10860745 IUPAC Name: ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate SMILES: CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 10860745 |
|---|---|
| CAS | 88767-98-0 |
| Molecular Weight (g/mol) | 340.313 |
| MDL Number | MFCD09751096 |
| SMILES | CCOC(=O)C(CCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | (R)-4-Phenyl-2-(trifluoromethanesulfonyloxy)butyric Acid Ethyl Ester |
| IUPAC Name | ethyl (2R)-4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate |
| InChI Key | UDJNHUAEPSYCRU-LLVKDONJSA-N |
| Molecular Formula | C13H15F3O5S |
2,4,5-Trichlorobenzenesulfonic Acid Hydrate 98.0+%, TCI America™
CAS: 6378-25-2 Molecular Formula: C6H3Cl3O3S Molecular Weight (g/mol): 261.497 MDL Number: MFCD00070539 InChI Key: LEDKKDPOPIKMSZ-UHFFFAOYSA-N PubChem CID: 80786 IUPAC Name: 2,4,5-trichlorobenzenesulfonic acid SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)O
| PubChem CID | 80786 |
|---|---|
| CAS | 6378-25-2 |
| Molecular Weight (g/mol) | 261.497 |
| MDL Number | MFCD00070539 |
| SMILES | C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)O |
| IUPAC Name | 2,4,5-trichlorobenzenesulfonic acid |
| InChI Key | LEDKKDPOPIKMSZ-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl3O3S |
2,3,4,6-Tetra-O-benzoyl-D-mannopyranose 93.0+%, TCI America™
CAS: 113544-59-5 Molecular Formula: C34H28O10 Molecular Weight (g/mol): 596.59 MDL Number: MFCD02683399 InChI Key: FCDYAJBVISGNLC-UHFFFAOYNA-N PubChem CID: 11146396 IUPAC Name: [3,4,5-tris(benzoyloxy)-6-hydroxyoxan-2-yl]methyl benzoate SMILES: OC1OC(COC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C1OC(=O)C1=CC=CC=C1
| PubChem CID | 11146396 |
|---|---|
| CAS | 113544-59-5 |
| Molecular Weight (g/mol) | 596.59 |
| MDL Number | MFCD02683399 |
| SMILES | OC1OC(COC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C1OC(=O)C1=CC=CC=C1 |
| IUPAC Name | [3,4,5-tris(benzoyloxy)-6-hydroxyoxan-2-yl]methyl benzoate |
| InChI Key | FCDYAJBVISGNLC-UHFFFAOYNA-N |
| Molecular Formula | C34H28O10 |
Methyl 3-(4-Methoxycarbonylphenyl)propionate 97.0+%, TCI America™
CAS: 40912-11-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00059305 InChI Key: MLKXCCLYRPKSBM-UHFFFAOYSA-N Synonym: 3-(4-Carboxyphenyl)propionic Acid Dimethyl Ester, 3-(4-Methoxycarbonylphenyl)propionic Acid Methyl Ester PubChem CID: 595759 IUPAC Name: methyl 4-(3-methoxy-3-oxopropyl)benzoate SMILES: COC(=O)CCC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 595759 |
|---|---|
| CAS | 40912-11-6 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00059305 |
| SMILES | COC(=O)CCC1=CC=C(C=C1)C(=O)OC |
| Synonym | 3-(4-Carboxyphenyl)propionic Acid Dimethyl Ester, 3-(4-Methoxycarbonylphenyl)propionic Acid Methyl Ester |
| IUPAC Name | methyl 4-(3-methoxy-3-oxopropyl)benzoate |
| InChI Key | MLKXCCLYRPKSBM-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
cis-3-Hexen-1-yl Hexanoate 98.0+%, TCI America™
CAS: 31501-11-8 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.31 MDL Number: MFCD00036552,MFCD00036552 InChI Key: RGACQXBDYBCJCY-ALCCZGGFSA-N Synonym: Hexanoic Acid cis-3-Hexen-1-yl Ester PubChem CID: 5352543 IUPAC Name: (3Z)-hex-3-en-1-yl hexanoate SMILES: CCCCCC(=O)OCC\C=C/CC
| PubChem CID | 5352543 |
|---|---|
| CAS | 31501-11-8 |
| Molecular Weight (g/mol) | 198.31 |
| MDL Number | MFCD00036552,MFCD00036552 |
| SMILES | CCCCCC(=O)OCC\C=C/CC |
| Synonym | Hexanoic Acid cis-3-Hexen-1-yl Ester |
| IUPAC Name | (3Z)-hex-3-en-1-yl hexanoate |
| InChI Key | RGACQXBDYBCJCY-ALCCZGGFSA-N |
| Molecular Formula | C12H22O2 |
1-Carbobenzoxy-3-methylimidazolium Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 163080-99-7 Molecular Formula: C13H13F3N2O5S Molecular Weight (g/mol): 366.311 InChI Key: ICFSDLPZJDDPHP-UHFFFAOYSA-M Synonym: 1-Carbobenzoxy-3-methylimidazolium Triflate, 1-Cbz-3-methylimidazolium Trifluoromethanesulfonate, 1-Cbz-3-methylimidazolium Triflate PubChem CID: 11858599 IUPAC Name: benzyl 3-methylimidazol-3-ium-1-carboxylate;trifluoromethanesulfonate SMILES: C[N+]1=CN(C=C1)C(=O)OCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 11858599 |
|---|---|
| CAS | 163080-99-7 |
| Molecular Weight (g/mol) | 366.311 |
| SMILES | C[N+]1=CN(C=C1)C(=O)OCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | 1-Carbobenzoxy-3-methylimidazolium Triflate, 1-Cbz-3-methylimidazolium Trifluoromethanesulfonate, 1-Cbz-3-methylimidazolium Triflate |
| IUPAC Name | benzyl 3-methylimidazol-3-ium-1-carboxylate;trifluoromethanesulfonate |
| InChI Key | ICFSDLPZJDDPHP-UHFFFAOYSA-M |
| Molecular Formula | C13H13F3N2O5S |
Methyl 2-(2,6-Dichloroanilino)phenylacetate 97.0+%, TCI America™
CAS: 15307-78-5 Molecular Formula: C15H13Cl2NO2 Molecular Weight (g/mol): 310.174 MDL Number: MFCD08273811 InChI Key: VETACGBDFVVKGZ-UHFFFAOYSA-N Synonym: 2-(2,6-Dichloroanilino)phenylacetic Acid Methyl Ester, Diclofenac Methyl Ester PubChem CID: 519102 IUPAC Name: methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate SMILES: COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl
| PubChem CID | 519102 |
|---|---|
| CAS | 15307-78-5 |
| Molecular Weight (g/mol) | 310.174 |
| MDL Number | MFCD08273811 |
| SMILES | COC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl |
| Synonym | 2-(2,6-Dichloroanilino)phenylacetic Acid Methyl Ester, Diclofenac Methyl Ester |
| IUPAC Name | methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate |
| InChI Key | VETACGBDFVVKGZ-UHFFFAOYSA-N |
| Molecular Formula | C15H13Cl2NO2 |
Pentylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 4737-50-2 Molecular Formula: C5H13BO2 Molecular Weight (g/mol): 115.967 MDL Number: MFCD01074651 InChI Key: ABWPXVJNCQKYDR-UHFFFAOYSA-N Synonym: 1-Pentaneboronic Acid PubChem CID: 352103 IUPAC Name: pentylboronic acid SMILES: B(CCCCC)(O)O
| PubChem CID | 352103 |
|---|---|
| CAS | 4737-50-2 |
| Molecular Weight (g/mol) | 115.967 |
| MDL Number | MFCD01074651 |
| SMILES | B(CCCCC)(O)O |
| Synonym | 1-Pentaneboronic Acid |
| IUPAC Name | pentylboronic acid |
| InChI Key | ABWPXVJNCQKYDR-UHFFFAOYSA-N |
| Molecular Formula | C5H13BO2 |