methyl 6-[(1S,2S)-4,4-dimethyl-2-(nitromethyl)-6-oxidanylidene-cyclohexyl]-6-oxidanylidene-hexanoate

Systemtic Name: methyl 6-[(1S,2S)-4,4-dimethyl-2-(nitromethyl)-6-oxidanylidene-cyclohexyl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[(1S,2S)-4,4-dimethyl-2-(nitromethyl)-6-oxo-cyclohexyl]-6-oxo-hexanoate CAS Name: 6-[(1S,2S)-4,4-dimethyl-2-(nitromethyl)-6-oxocyclohexyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[(1S,2S)-4,4-dimethyl-2-(nitromethyl)-6-oxocyclohexyl]-6-oxohexanoate Traditional Name: 6-keto-6-[(1S,6S)-2-keto-4,4-dimethyl-6-(nitromethyl)cyclohexyl]hexanoic acid methyl ester Formula: C16H25NO6 MolecularWeight: 327.3728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C[C@@H]([C@H](C(=O)C1)C(=O)CCCCC(=O)OC)C[N+](=O)[O-])C

InChI

InChI=1S/C16H25NO6/c1-16(2)8-11(10-17(21)22)15(13(19)9-16)12(18)6-4-5-7-14(20)23-3/h11,15H,4-10H2,1-3H3/t11-,15+/m1/s1