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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-nitrobenzenesulfinate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-nitrobenzenesulfinate CAS Name: 2-nitrobenzenesulfinic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-nitrobenzenesulfinate Traditional Name: 2-nitrobenzenesulfinic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OS(=O)C2=CC=CC=C2[N+](=O)[O-])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)O[S@](=O)C2=CC=CC=C2[N+](=O)[O-])C(C)C

InChI

InChI=1S/C16H23NO4S/c1-11(2)13-9-8-12(3)10-15(13)21-22(20)16-7-5-4-6-14(16)17(18)19/h4-7,11-13,15H,8-10H2,1-3H3/t12-,13+,15-,22+/m1/s1