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

Systemtic Name: sodium [3-azanyl-4-(phenylcarbonyl)phenyl] (2,6-dimethylphenyl) phosphate Openeye Name: sodium (3-amino-4-benzoyl-phenyl) (2,6-dimethylphenyl) phosphate CAS Name: sodium (3-amino-4-benzoylphenyl) (2,6-dimethylphenyl) phosphate IUPAC Name: sodium (3-amino-4-benzoylphenyl) (2,6-dimethylphenyl) phosphate Traditional Name: sodium (3-amino-4-benzoyl-phenyl) (2,6-dimethylphenyl) phosphate Formula: C21H19NNaO5P MolecularWeight: 419.342791

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO5P.Na/c1-14-7-6-8-15(2)21(14)27-28(24,25)26-17-11-12-18(19(22)13-17)20(23)16-9-4-3-5-10-16;/h3-13H,22H2,1-2H3,(H,24,25);/q;+1/p-1