[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-sulfanylbenzoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 2-sulfanylbenzoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 2-sulfanylbenzoate CAS Name: 2-mercaptobenzoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 2-sulfanylbenzoate Traditional Name: 2-mercaptobenzoic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S)C

InChI

InChI=1S/C17H16O3S/c1-11-7-8-13(9-12(11)2)15(18)10-20-17(19)14-5-3-4-6-16(14)21/h3-9,21H,10H2,1-2H3