4-(4-methylphenyl)sulfanyl-2-phenyl-butanoic acid

Systemtic Name: 4-(4-methylphenyl)sulfanyl-2-phenyl-butanoic acid Openeye Name: 2-phenyl-4-(p-tolylsulfanyl)butanoic acid CAS Name: 4-[(4-methylphenyl)thio]-2-phenylbutanoic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-2-phenylbutanoic acid Traditional Name: 2-phenyl-4-(p-tolylthio)butyric acid Formula: C17H18O2S MolecularWeight: 286.38862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O2S/c1-13-7-9-15(10-8-13)20-12-11-16(17(18)19)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3,(H,18,19)