[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] propane-2-sulfinate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] propane-2-sulfinate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] propane-2-sulfinate CAS Name: 2-propanesulfinic acid IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] propane-2-sulfinate Traditional Name: propane-2-sulfinic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C13H26O2S MolecularWeight: 246.40934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OS(=O)C(C)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)O[S@@](=O)C(C)C)C(C)C

InChI

InChI=1S/C13H26O2S/c1-9(2)12-7-6-11(5)8-13(12)15-16(14)10(3)4/h9-13H,6-8H2,1-5H3/t11-,12-,13+,16+/m0/s1