4,4-dimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 4,4-dimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 4,4-dimethyl-2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione CAS Name: 4,4-dimethyl-2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4,4-dimethyl-2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(4-mesyl-2-nitro-benzoyl)-4,4-dimethyl-cyclohexane-1,3-quinone Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCC(=O)C(C1=O)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H17NO7S/c1-16(2)7-6-12(18)13(15(16)20)14(19)10-5-4-9(25(3,23)24)8-11(10)17(21)22/h4-5,8,13H,6-7H2,1-3H3