3-(4-ethoxycarbonylphenyl)-1-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-(4-ethoxycarbonylphenyl)-1-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(4-ethoxycarbonylphenyl)-1-hydroxy-propane-1-sulfonic acid CAS Name: 3-(4-ethoxycarbonylphenyl)-1-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(4-ethoxycarbonylphenyl)-1-hydroxypropane-1-sulfonic acid Traditional Name: 3-(4-carbethoxyphenyl)-1-hydroxy-propane-1-sulfonic acid Formula: C12H16O6S MolecularWeight: 288.31684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC(O)S(=O)(=O)O

InChI

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