2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]benzoic acid Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H14O3S/c1-11-6-8-12(9-7-11)14(17)10-20-15-5-3-2-4-13(15)16(18)19/h2-9H,10H2,1H3,(H,18,19)