2-[2,6-bis(chloranyl)-4-nitro-phenyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2,6-bis(chloranyl)-4-nitro-phenyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(2,6-dichloro-4-nitro-phenyl)-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-(2,6-dichloro-4-nitrophenyl)-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(2,6-dichloro-4-nitrophenyl)-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(2,6-dichloro-4-nitro-phenyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C14H13Cl2NO4 MolecularWeight: 330.16332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C14H13Cl2NO4/c1-14(2)5-10(18)13(11(19)6-14)12-8(15)3-7(17(20)21)4-9(12)16/h3-4,13H,5-6H2,1-2H3