(2S)-2-[(E,3R)-2-methyl-1-nitro-3-oxidanyl-oct-1-en-3-yl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(E,3R)-2-methyl-1-nitro-3-oxidanyl-oct-1-en-3-yl]cyclohexan-1-one Openeye Name: (2S)-2-[(1R)-1-hydroxy-1-[(E)-1-methyl-2-nitro-vinyl]hexyl]cyclohexanone CAS Name: (2S)-2-[(E,3R)-3-hydroxy-2-methyl-1-nitrooct-1-en-3-yl]-1-cyclohexanone IUPAC Name: (2S)-2-[(E,3R)-3-hydroxy-2-methyl-1-nitrooct-1-en-3-yl]cyclohexan-1-one Traditional Name: (2S)-2-[(E,1R)-1-amyl-1-hydroxy-2-methyl-3-nitro-allyl]cyclohexanone Formula: C15H25NO4 MolecularWeight: 283.3633

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCCCC1=O)(C(=C[N+](=O)[O-])C)O

Isomeric SMILES

CCCCC[C@@]([C@@H]1CCCCC1=O)(/C(=C/[N+](=O)[O-])/C)O

InChI

InChI=1S/C15H25NO4/c1-3-4-7-10-15(18,12(2)11-16(19)20)13-8-5-6-9-14(13)17/h11,13,18H,3-10H2,1-2H3/b12-11+/t13-,15+/m1/s1