sodium [4-(3-acetamidophenyl)carbonyl-3,5-dimethyl-phenyl] phenyl phosphate

Systemtic Name: sodium [4-(3-acetamidophenyl)carbonyl-3,5-dimethyl-phenyl] phenyl phosphate Openeye Name: sodium [4-(3-acetamidobenzoyl)-3,5-dimethyl-phenyl] phenyl phosphate CAS Name: sodium [4-[(3-acetamidophenyl)-oxomethyl]-3,5-dimethylphenyl] phenyl phosphate IUPAC Name: sodium [4-(3-acetamidobenzoyl)-3,5-dimethylphenyl] phenyl phosphate Traditional Name: sodium [4-(3-acetamidobenzoyl)-3,5-dimethyl-phenyl] phenyl phosphate Formula: C23H21NNaO6P MolecularWeight: 461.379471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=CC(=CC=C2)NC(=O)C)C)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=CC(=CC=C2)NC(=O)C)C)OP(=O)([O-])OC3=CC=CC=C3.[Na+]

InChI

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