[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-nitrobenzenesulfinate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 4-nitrobenzenesulfinate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 4-nitrobenzenesulfinate CAS Name: 4-nitrobenzenesulfinic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-nitrobenzenesulfinate Traditional Name: 4-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=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4S/c1-11(2)15-9-4-12(3)10-16(15)21-22(20)14-7-5-13(6-8-14)17(18)19/h5-8,11-12,15-16H,4,9-10H2,1-3H3/t12-,15+,16-,22-/m1/s1