3-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid

Systemtic Name: 3-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid Openeye Name: 3-(4-hydroxy-3-methoxy-phenyl)-3-oxo-1-phenyl-propane-1-sulfonic acid CAS Name: 3-(4-hydroxy-3-methoxyphenyl)-3-oxo-1-phenyl-1-propanesulfonic acid IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)-3-oxo-1-phenylpropane-1-sulfonic acid Traditional Name: 3-(4-hydroxy-3-methoxy-phenyl)-3-keto-1-phenyl-propane-1-sulfonic acid Formula: C16H16O6S MolecularWeight: 336.35964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)CC(C2=CC=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)CC(C2=CC=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C16H16O6S/c1-22-15-9-12(7-8-13(15)17)14(18)10-16(23(19,20)21)11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3,(H,19,20,21)