2-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)sulfanylbenzoic acid

Systemtic Name: 2-(3-oxidanyl-3-oxidanylidene-1-phenyl-propyl)sulfanylbenzoic acid Openeye Name: 2-(3-hydroxy-3-oxo-1-phenyl-propyl)sulfanylbenzoic acid CAS Name: 2-[(3-hydroxy-3-oxo-1-phenylpropyl)thio]benzoic acid IUPAC Name: 2-(3-hydroxy-3-oxo-1-phenylpropyl)sulfanylbenzoic acid Traditional Name: 2-[(3-hydroxy-3-keto-1-phenyl-propyl)thio]benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14O4S/c17-15(18)10-14(11-6-2-1-3-7-11)21-13-9-5-4-8-12(13)16(19)20/h1-9,14H,10H2,(H,17,18)(H,19,20)