(2,6,6-trimethylcyclohexen-1-yl)methylsulfanylbenzene

Systemtic Name: (2,6,6-trimethylcyclohexen-1-yl)methylsulfanylbenzene Openeye Name: (2,6,6-trimethylcyclohexen-1-yl)methylsulfanylbenzene CAS Name: [(2,6,6-trimethyl-1-cyclohexenyl)methylthio]benzene IUPAC Name: (2,6,6-trimethylcyclohexen-1-yl)methylsulfanylbenzene Traditional Name: [(2,6,6-trimethylcyclohexen-1-yl)methylthio]benzene Formula: C16H22S MolecularWeight: 246.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CSC2=CC=CC=C2

InChI

InChI=1S/C16H22S/c1-13-8-7-11-16(2,3)15(13)12-17-14-9-5-4-6-10-14/h4-6,9-10H,7-8,11-12H2,1-3H3