3-[3-oxidanyl-4-(phenylcarbonyl)phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[3-oxidanyl-4-(phenylcarbonyl)phenoxy]propane-1-sulfonic acid Openeye Name: 3-(4-benzoyl-3-hydroxy-phenoxy)propane-1-sulfonic acid CAS Name: 3-(4-benzoyl-3-hydroxyphenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-benzoyl-3-hydroxyphenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-benzoyl-3-hydroxy-phenoxy)propane-1-sulfonic acid Formula: C16H16O6S MolecularWeight: 336.35964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCS(=O)(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCCS(=O)(=O)O)O

InChI

InChI=1S/C16H16O6S/c17-15-11-13(22-9-4-10-23(19,20)21)7-8-14(15)16(18)12-5-2-1-3-6-12/h1-3,5-8,11,17H,4,9-10H2,(H,19,20,21)