sodium (2,6-dimethylphenyl) [3-nitro-4-(phenylcarbonyl)phenyl] phosphate

Systemtic Name: sodium (2,6-dimethylphenyl) [3-nitro-4-(phenylcarbonyl)phenyl] phosphate Openeye Name: sodium (4-benzoyl-3-nitro-phenyl) (2,6-dimethylphenyl) phosphate CAS Name: sodium (4-benzoyl-3-nitrophenyl) (2,6-dimethylphenyl) phosphate IUPAC Name: sodium (4-benzoyl-3-nitrophenyl) (2,6-dimethylphenyl) phosphate Traditional Name: sodium (4-benzoyl-3-nitro-phenyl) (2,6-dimethylphenyl) phosphate Formula: C21H17NNaO7P MolecularWeight: 449.325711

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OP(=O)([O-])OC2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OP(=O)([O-])OC2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C21H18NO7P.Na/c1-14-7-6-8-15(2)21(14)29-30(26,27)28-17-11-12-18(19(13-17)22(24)25)20(23)16-9-4-3-5-10-16;/h3-13H,1-2H3,(H,26,27);/q;+1/p-1