[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-3-nitro-2-oxidanyl-octanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-3-nitro-2-oxidanyl-octanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S,3R)-2-hydroxy-3-nitro-octanoate CAS Name: (2S,3R)-2-hydroxy-3-nitrooctanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S,3R)-2-hydroxy-3-nitrooctanoate Traditional Name: (2S,3R)-2-hydroxy-3-nitro-caprylic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C24H37NO5 MolecularWeight: 419.55428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H37NO5/c1-5-6-8-13-20(25(28)29)22(26)23(27)30-21-16-17(2)14-15-19(21)24(3,4)18-11-9-7-10-12-18/h7,9-12,17,19-22,26H,5-6,8,13-16H2,1-4H3/t17-,19-,20-,21-,22+/m1/s1