7-(4-chlorophenyl)-2-(2-methylphenyl)sulfanyl-heptanoic acid

Systemtic Name: 7-(4-chlorophenyl)-2-(2-methylphenyl)sulfanyl-heptanoic acid Openeye Name: 7-(4-chlorophenyl)-2-(o-tolylsulfanyl)heptanoic acid CAS Name: 7-(4-chlorophenyl)-2-[(2-methylphenyl)thio]heptanoic acid IUPAC Name: 7-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylheptanoic acid Traditional Name: 7-(4-chlorophenyl)-2-(o-tolylthio)enanthic acid Formula: C20H23ClO2S MolecularWeight: 362.91342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H23ClO2S/c1-15-7-5-6-9-18(15)24-19(20(22)23)10-4-2-3-8-16-11-13-17(21)14-12-16/h5-7,9,11-14,19H,2-4,8,10H2,1H3,(H,22,23)