4,4,5-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 4,4,5-trimethyl-2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 4,4,5-trimethyl-2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione CAS Name: 4,4,5-trimethyl-2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4,4,5-trimethyl-2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(4-mesyl-2-nitro-benzoyl)-4,4,5-trimethyl-cyclohexane-1,3-quinone Formula: C17H19NO7S MolecularWeight: 381.40026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C(C(=O)C1(C)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)C(C(=O)C1(C)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO7S/c1-9-7-13(19)14(16(21)17(9,2)3)15(20)11-6-5-10(26(4,24)25)8-12(11)18(22)23/h5-6,8-9,14H,7H2,1-4H3