2-[3-(4-methylphenyl)-3-oxidanylidene-1-phenyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)-3-oxidanylidene-1-phenyl-propyl]sulfanylethanoic acid Openeye Name: 2-[3-oxo-1-phenyl-3-(p-tolyl)propyl]sulfanylacetic acid CAS Name: 2-[[3-(4-methylphenyl)-3-oxo-1-phenylpropyl]thio]acetic acid IUPAC Name: 2-[3-(4-methylphenyl)-3-oxo-1-phenylpropyl]sulfanylacetic acid Traditional Name: 2-[[3-keto-1-phenyl-3-(p-tolyl)propyl]thio]acetic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)SCC(=O)O

InChI

InChI=1S/C18H18O3S/c1-13-7-9-14(10-8-13)16(19)11-17(22-12-18(20)21)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,20,21)