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

Systemtic Name: 4,4-dimethyl-2-(3-methylsulfonyl-2-nitro-phenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 4,4-dimethyl-2-(3-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione CAS Name: 4,4-dimethyl-2-[(3-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4,4-dimethyl-2-(3-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione Traditional Name: 2-(3-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(=CC=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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