sodium (3,5-dimethylphenyl) [4-(4-nitrophenyl)carbonylphenyl] phosphate

Systemtic Name: sodium (3,5-dimethylphenyl) [4-(4-nitrophenyl)carbonylphenyl] phosphate Openeye Name: sodium (3,5-dimethylphenyl) [4-(4-nitrobenzoyl)phenyl] phosphate CAS Name: sodium (3,5-dimethylphenyl) [4-[(4-nitrophenyl)-oxomethyl]phenyl] phosphate IUPAC Name: sodium (3,5-dimethylphenyl) [4-(4-nitrobenzoyl)phenyl] phosphate Traditional Name: sodium (3,5-dimethylphenyl) [4-(4-nitrobenzoyl)phenyl] phosphate Formula: C21H17NNaO7P MolecularWeight: 449.325711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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