5-chloranyl-2-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzoic acid

Systemtic Name: 5-chloranyl-2-[2-(3-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-benzoic acid Openeye Name: 5-chloro-2-[2-(m-tolyl)-2-oxo-ethyl]sulfanyl-benzoic acid CAS Name: 5-chloro-2-[[2-(3-methylphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 5-chloro-2-[2-(3-methylphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 5-chloro-2-[[2-keto-2-(m-tolyl)ethyl]thio]benzoic acid Formula: C16H13ClO3S MolecularWeight: 320.79062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)CSC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)CSC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C16H13ClO3S/c1-10-3-2-4-11(7-10)14(18)9-21-15-6-5-12(17)8-13(15)16(19)20/h2-8H,9H2,1H3,(H,19,20)