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

Systemtic Name: sodium [3-acetamido-4-(phenylcarbonyl)phenyl] (2,6-dimethylphenyl) phosphate Openeye Name: sodium (3-acetamido-4-benzoyl-phenyl) (2,6-dimethylphenyl) phosphate CAS Name: sodium (3-acetamido-4-benzoylphenyl) (2,6-dimethylphenyl) phosphate IUPAC Name: sodium (3-acetamido-4-benzoylphenyl) (2,6-dimethylphenyl) phosphate Traditional Name: sodium (3-acetamido-4-benzoyl-phenyl) (2,6-dimethylphenyl) phosphate Formula: C23H21NNaO6P MolecularWeight: 461.379471

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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)NC(=O)C.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C23H22NO6P.Na/c1-15-8-7-9-16(2)23(15)30-31(27,28)29-19-12-13-20(21(14-19)24-17(3)25)22(26)18-10-5-4-6-11-18;/h4-14H,1-3H3,(H,24,25)(H,27,28);/q;+1/p-1