[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methanoylcyclopentane-1-sulfonate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-methanoylcyclopentane-1-sulfonate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-formylcyclopentanesulfonate CAS Name: 2-formyl-1-cyclopentanesulfonic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-formylcyclopentane-1-sulfonate Traditional Name: 2-formylcyclopentanesulfonic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C16H23O4S MolecularWeight: 311.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OS(=O)(=O)[C]2[CH][CH][CH][C]2C=O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OS(=O)(=O)[C]2[CH][CH][CH][C]2C=O)C(C)C

InChI

InChI=1S/C16H23O4S/c1-11(2)14-8-7-12(3)9-15(14)20-21(18,19)16-6-4-5-13(16)10-17/h4-6,10-12,14-15H,7-9H2,1-3H3/t12-,14+,15-/m1/s1