O-[(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] methylsulfanylmethanethioate

Systemtic Name: O-[(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] methylsulfanylmethanethioate Openeye Name: O-[(1R,2R,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: O-[(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[(1R,2R,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C18H26OS2 MolecularWeight: 322.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=S)SC)C(C)(C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@@H](C1)OC(=S)SC)C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C18H26OS2/c1-13-10-11-15(16(12-13)19-17(20)21-4)18(2,3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3/t13-,15+,16-/m1/s1