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

Systemtic Name: 3-hexyl-1,2-dimethoxy-4-(4-methylphenyl)sulfanyl-benzene Openeye Name: 3-hexyl-1,2-dimethoxy-4-(p-tolylsulfanyl)benzene CAS Name: 3-hexyl-1,2-dimethoxy-4-[(4-methylphenyl)thio]benzene IUPAC Name: 3-hexyl-1,2-dimethoxy-4-(4-methylphenyl)sulfanylbenzene Traditional Name: 3-hexyl-1,2-dimethoxy-4-(p-tolylthio)benzene Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1OC)OC)SC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1OC)OC)SC2=CC=C(C=C2)C

InChI

InChI=1S/C21H28O2S/c1-5-6-7-8-9-18-20(15-14-19(22-3)21(18)23-4)24-17-12-10-16(2)11-13-17/h10-15H,5-9H2,1-4H3