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

Systemtic Name: sodium [4-(3,5-dimethylphenyl)carbonylphenyl] phenyl phosphate Openeye Name: sodium [4-(3,5-dimethylbenzoyl)phenyl] phenyl phosphate CAS Name: sodium [4-[(3,5-dimethylphenyl)-oxomethyl]phenyl] phenyl phosphate IUPAC Name: sodium [4-(3,5-dimethylbenzoyl)phenyl] phenyl phosphate Traditional Name: sodium [4-(3,5-dimethylbenzoyl)phenyl] phenyl phosphate Formula: C21H18NaO5P MolecularWeight: 404.328151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3)C.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC=C3)C.[Na+]

InChI

InChI=1S/C21H19O5P.Na/c1-15-12-16(2)14-18(13-15)21(22)17-8-10-20(11-9-17)26-27(23,24)25-19-6-4-3-5-7-19;/h3-14H,1-2H3,(H,23,24);/q;+1/p-1