[(1S,2S,5R)-5-tert-butyl-2-methoxy-2-(2-methylprop-2-enyl)cyclohexyl]sulfanylbenzene

Systemtic Name: [(1S,2S,5R)-5-tert-butyl-2-methoxy-2-(2-methylprop-2-enyl)cyclohexyl]sulfanylbenzene Openeye Name: [(1S,2S,5R)-5-tert-butyl-2-methoxy-2-(2-methylallyl)cyclohexyl]sulfanylbenzene CAS Name: [[(1S,2S,5R)-5-tert-butyl-2-methoxy-2-(2-methylprop-2-enyl)cyclohexyl]thio]benzene IUPAC Name: [(1S,2S,5R)-5-tert-butyl-2-methoxy-2-(2-methylprop-2-enyl)cyclohexyl]sulfanylbenzene Traditional Name: [[(1S,2S,5R)-5-tert-butyl-2-methoxy-2-(2-methylallyl)cyclohexyl]thio]benzene Formula: C21H32OS MolecularWeight: 332.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC1(CCC(CC1SC2=CC=CC=C2)C(C)(C)C)OC

Isomeric SMILES

CC(=C)C[C@]1(CC[C@H](C[C@@H]1SC2=CC=CC=C2)C(C)(C)C)OC

InChI

InChI=1S/C21H32OS/c1-16(2)15-21(22-6)13-12-17(20(3,4)5)14-19(21)23-18-10-8-7-9-11-18/h7-11,17,19H,1,12-15H2,2-6H3/t17-,19+,21+/m1/s1