3-heptyl-2-methoxy-4-(4-methylphenyl)sulfanyl-phenol

Systemtic Name: 3-heptyl-2-methoxy-4-(4-methylphenyl)sulfanyl-phenol Openeye Name: 3-heptyl-2-methoxy-4-(p-tolylsulfanyl)phenol CAS Name: 3-heptyl-2-methoxy-4-[(4-methylphenyl)thio]phenol IUPAC Name: 3-heptyl-2-methoxy-4-(4-methylphenyl)sulfanylphenol Traditional Name: 3-heptyl-2-methoxy-4-(p-tolylthio)phenol Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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