2-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)sulfanyl-7-oxidanyl-heptanoic acid

Systemtic Name: 2-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)sulfanyl-7-oxidanyl-heptanoic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-2-(o-tolylsulfanyl)heptanoic acid CAS Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-2-[(2-methylphenyl)thio]heptanoic acid IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-2-(2-methylphenyl)sulfanylheptanoic acid Traditional Name: 2-(3,4-dimethoxyphenyl)-7-hydroxy-2-(o-tolylthio)enanthic acid Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC(CCCCCO)(C2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SC(CCCCCO)(C2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C22H28O5S/c1-16-9-5-6-10-20(16)28-22(21(24)25,13-7-4-8-14-23)17-11-12-18(26-2)19(15-17)27-3/h5-6,9-12,15,23H,4,7-8,13-14H2,1-3H3,(H,24,25)