(2S,5S)-3,3,5-trimethyl-2-nitro-cyclohexan-1-one

Systemtic Name: (2S,5S)-3,3,5-trimethyl-2-nitro-cyclohexan-1-one Openeye Name: (2S,5S)-3,3,5-trimethyl-2-nitro-cyclohexanone CAS Name: (2S,5S)-3,3,5-trimethyl-2-nitro-1-cyclohexanone IUPAC Name: (2S,5S)-3,3,5-trimethyl-2-nitrocyclohexan-1-one Traditional Name: (2S,5S)-3,3,5-trimethyl-2-nitro-cyclohexanone Formula: C9H15NO3 MolecularWeight: 185.2203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(C1)(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO3/c1-6-4-7(11)8(10(12)13)9(2,3)5-6/h6,8H,4-5H2,1-3H3/t6-,8-/m1/s1