2-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)phenyl]sulfanylbenzoic acid Openeye Name: 2-[4-(2-hydroxy-1-methyl-2-oxo-ethyl)phenyl]sulfanylbenzoic acid CAS Name: 2-[[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]thio]benzoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxopropan-2-yl)phenyl]sulfanylbenzoic acid Traditional Name: 2-[[4-(2-hydroxy-2-keto-1-methyl-ethyl)phenyl]thio]benzoic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O4S/c1-10(15(17)18)11-6-8-12(9-7-11)21-14-5-3-2-4-13(14)16(19)20/h2-10H,1H3,(H,17,18)(H,19,20)