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

Systemtic Name: 8-(2-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-octanoic acid Openeye Name: 8-(2-methoxyphenyl)-2-(p-tolylsulfanyl)octanoic acid CAS Name: 8-(2-methoxyphenyl)-2-[(4-methylphenyl)thio]octanoic acid IUPAC Name: 8-(2-methoxyphenyl)-2-(4-methylphenyl)sulfanyloctanoic acid Traditional Name: 8-(2-methoxyphenyl)-2-(p-tolylthio)caprylic acid Formula: C22H28O3S MolecularWeight: 372.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCC2=CC=CC=C2OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCC2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C22H28O3S/c1-17-13-15-19(16-14-17)26-21(22(23)24)12-6-4-3-5-9-18-10-7-8-11-20(18)25-2/h7-8,10-11,13-16,21H,3-6,9,12H2,1-2H3,(H,23,24)