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

Systemtic Name: 7-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanoic acid Openeye Name: 7-(4-methoxyphenyl)-2-(p-tolylsulfanyl)heptanoic acid CAS Name: 7-(4-methoxyphenyl)-2-[(4-methylphenyl)thio]heptanoic acid IUPAC Name: 7-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylheptanoic acid Traditional Name: 7-(4-methoxyphenyl)-2-(p-tolylthio)enanthic acid Formula: C21H26O3S MolecularWeight: 358.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3S/c1-16-8-14-19(15-9-16)25-20(21(22)23)7-5-3-4-6-17-10-12-18(24-2)13-11-17/h8-15,20H,3-7H2,1-2H3,(H,22,23)