3-methoxy-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzoic acid

Systemtic Name: 3-methoxy-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzoic acid Openeye Name: 3-methoxy-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-benzoic acid CAS Name: 3-methoxy-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 3-methoxy-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-3-methoxy-benzoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=C(C=CC=C2OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=C(C=CC=C2OC)C(=O)O

InChI

InChI=1S/C17H16O4S/c1-11-6-8-12(9-7-11)14(18)10-22-16-13(17(19)20)4-3-5-15(16)21-2/h3-9H,10H2,1-2H3,(H,19,20)