2-(4-methylphenyl)sulfanyl-8-phenyl-octanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfanyl-8-phenyl-octanoic acid Openeye Name: 8-phenyl-2-(p-tolylsulfanyl)octanoic acid CAS Name: 2-[(4-methylphenyl)thio]-8-phenyloctanoic acid IUPAC Name: 2-(4-methylphenyl)sulfanyl-8-phenyloctanoic acid Traditional Name: 8-phenyl-2-(p-tolylthio)caprylic acid Formula: C21H26O2S MolecularWeight: 342.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26O2S/c1-17-13-15-19(16-14-17)24-20(21(22)23)12-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-11,13-16,20H,2-3,5,8-9,12H2,1H3,(H,22,23)