2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]benzoic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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