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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C20H23ClO2S/c1-15-7-13-18(14-8-15)24-19(20(22)23)6-4-2-3-5-16-9-11-17(21)12-10-16/h7-14,19H,2-6H2,1H3,(H,22,23)