2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione; tributyl phosphate

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione; tributyl phosphate Openeye Name: 2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione; tributyl phosphate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione; phosphoric acid tributyl ester IUPAC Name: 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione; tributyl phosphate Traditional Name: 2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone; phosphoric acid tributyl ester Formula: C26H40NO11PS MolecularWeight: 605.634661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(OCCCC)OCCCC.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCCOP(=O)(OCCCC)OCCCC.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C14H13NO7S.C12H27O4P/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17;1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h5-7,13H,2-4H2,1H3;4-12H2,1-3H3