5,5-dimethyl-2,2-bis(2-nitroethyl)cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2,2-bis(2-nitroethyl)cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2,2-bis(2-nitroethyl)cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2,2-bis(2-nitroethyl)cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2,2-bis(2-nitroethyl)cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2,2-bis(2-nitroethyl)cyclohexane-1,3-quinone Formula: C12H18N2O6 MolecularWeight: 286.28112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O6/c1-11(2)7-9(15)12(10(16)8-11,3-5-13(17)18)4-6-14(19)20/h3-8H2,1-2H3