(2S,3R)-3,5,5-trimethyl-3-(2-nitroethoxy)-2-oxidanyl-cyclohexan-1-one

Systemtic Name: (2S,3R)-3,5,5-trimethyl-3-(2-nitroethoxy)-2-oxidanyl-cyclohexan-1-one Openeye Name: (2S,3R)-2-hydroxy-3,5,5-trimethyl-3-(2-nitroethoxy)cyclohexanone CAS Name: (2S,3R)-2-hydroxy-3,5,5-trimethyl-3-(2-nitroethoxy)-1-cyclohexanone IUPAC Name: (2S,3R)-2-hydroxy-3,5,5-trimethyl-3-(2-nitroethoxy)cyclohexan-1-one Traditional Name: (2S,3R)-2-hydroxy-3,5,5-trimethyl-3-(2-nitroethoxy)cyclohexanone Formula: C11H19NO5 MolecularWeight: 245.27226

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1)(C)OCC[N+](=O)[O-])O)C

Isomeric SMILES

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

InChI

InChI=1S/C11H19NO5/c1-10(2)6-8(13)9(14)11(3,7-10)17-5-4-12(15)16/h9,14H,4-7H2,1-3H3/t9-,11-/m1/s1