3-(4-methoxycarbonylphenyl)-1-oxidanyl-butane-1-sulfonic acid

Systemtic Name: 3-(4-methoxycarbonylphenyl)-1-oxidanyl-butane-1-sulfonic acid Openeye Name: 1-hydroxy-3-(4-methoxycarbonylphenyl)butane-1-sulfonic acid CAS Name: 1-hydroxy-3-(4-methoxycarbonylphenyl)-1-butanesulfonic acid IUPAC Name: 1-hydroxy-3-(4-methoxycarbonylphenyl)butane-1-sulfonic acid Traditional Name: 3-(4-carbomethoxyphenyl)-1-hydroxy-butane-1-sulfonic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(O)S(=O)(=O)O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(CC(O)S(=O)(=O)O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C12H16O6S/c1-8(7-11(13)19(15,16)17)9-3-5-10(6-4-9)12(14)18-2/h3-6,8,11,13H,7H2,1-2H3,(H,15,16,17)