2-(3-oxidanylidene-1,3-diphenyl-propyl)sulfanylethanoic acid

Systemtic Name: 2-(3-oxidanylidene-1,3-diphenyl-propyl)sulfanylethanoic acid Openeye Name: 2-(3-oxo-1,3-diphenyl-propyl)sulfanylacetic acid CAS Name: 2-[(3-oxo-1,3-diphenylpropyl)thio]acetic acid IUPAC Name: 2-(3-oxo-1,3-diphenylpropyl)sulfanylacetic acid Traditional Name: 2-[(3-keto-1,3-diphenyl-propyl)thio]acetic acid Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C17H16O3S/c18-15(13-7-3-1-4-8-13)11-16(21-12-17(19)20)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,19,20)