3-heptyl-1,2-dimethoxy-4-(4-methylphenyl)sulfanyl-benzene

Systemtic Name: 3-heptyl-1,2-dimethoxy-4-(4-methylphenyl)sulfanyl-benzene Openeye Name: 3-heptyl-1,2-dimethoxy-4-(p-tolylsulfanyl)benzene CAS Name: 3-heptyl-1,2-dimethoxy-4-[(4-methylphenyl)thio]benzene IUPAC Name: 3-heptyl-1,2-dimethoxy-4-(4-methylphenyl)sulfanylbenzene Traditional Name: 3-heptyl-1,2-dimethoxy-4-(p-tolylthio)benzene Formula: C22H30O2S MolecularWeight: 358.5374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=CC(=C1OC)OC)SC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC1=C(C=CC(=C1OC)OC)SC2=CC=C(C=C2)C

InChI

InChI=1S/C22H30O2S/c1-5-6-7-8-9-10-19-21(16-15-20(23-3)22(19)24-4)25-18-13-11-17(2)12-14-18/h11-16H,5-10H2,1-4H3