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

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

Systemtic Name:5-methyl-2-(4-methylsulfonyl-2-nitro-phenyl)carbonyl-cyclohexane-1,3-dione
Openeye Name:5-methyl-2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione
CAS Name:5-methyl-2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione
IUPAC Name:5-methyl-2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione
Traditional Name:2-(4-mesyl-2-nitro-benzoyl)-5-methyl-cyclohexane-1,3-quinone
Formula: C15H15NO7S
MolecularWeight: 353.3471
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H15NO7S/c1-8-5-12(17)14(13(18)6-8)15(19)10-4-3-9(24(2,22)23)7-11(10)16(20)21/h3-4,7-8,14H,5-6H2,1-2H3


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