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

Systemtic Name: 7-(2-methoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanoic acid Openeye Name: 7-(2-methoxyphenyl)-2-(p-tolylsulfanyl)heptanoic acid CAS Name: 7-(2-methoxyphenyl)-2-[(4-methylphenyl)thio]heptanoic acid IUPAC Name: 7-(2-methoxyphenyl)-2-(4-methylphenyl)sulfanylheptanoic acid Traditional Name: 7-(2-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=CC=C2OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCC2=CC=CC=C2OC)C(=O)O

InChI

InChI=1S/C21H26O3S/c1-16-12-14-18(15-13-16)25-20(21(22)23)11-5-3-4-8-17-9-6-7-10-19(17)24-2/h6-7,9-10,12-15,20H,3-5,8,11H2,1-2H3,(H,22,23)