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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=CC=CC=C2C(=O)O

InChI

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