2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione; 2-(phosphonomethylamino)ethanoic acid

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)carbonylcyclohexane-1,3-dione; 2-(phosphonomethylamino)ethanoic acid Openeye Name: 2-(4-methylsulfonyl-2-nitro-benzoyl)cyclohexane-1,3-dione; 2-(phosphonomethylamino)acetic acid CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)-oxomethyl]cyclohexane-1,3-dione; 2-(phosphonomethylamino)acetic acid IUPAC Name: 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione; 2-(phosphonomethylamino)acetic acid Traditional Name: 2-(4-mesyl-2-nitro-benzoyl)cyclohexane-1,3-quinone; 2-(phosphonomethylamino)acetic acid Formula: C17H21N2O12PS MolecularWeight: 508.393601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO7S.C3H8NO5P/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;5-3(6)1-4-2-10(7,8)9/h5-7,13H,2-4H2,1H3;4H,1-2H2,(H,5,6)(H2,7,8,9)