[(1S,2R)-2-nitro-1-(trinitromethyl)cyclohexyl]benzene

Systemtic Name: [(1S,2R)-2-nitro-1-(trinitromethyl)cyclohexyl]benzene Openeye Name: [(1S,2R)-2-nitro-1-(trinitromethyl)cyclohexyl]benzene CAS Name: [(1S,2R)-2-nitro-1-(trinitromethyl)cyclohexyl]benzene IUPAC Name: [(1S,2R)-2-nitro-1-(trinitromethyl)cyclohexyl]benzene Traditional Name: [(1S,2R)-2-nitro-1-(trinitromethyl)cyclohexyl]benzene Formula: C13H14N4O8 MolecularWeight: 354.27226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)[N+](=O)[O-])(C2=CC=CC=C2)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[C@@]([C@@H](C1)[N+](=O)[O-])(C2=CC=CC=C2)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O8/c18-14(19)11-8-4-5-9-12(11,10-6-2-1-3-7-10)13(15(20)21,16(22)23)17(24)25/h1-3,6-7,11H,4-5,8-9H2/t11-,12+/m1/s1