sodium [4-(4-cyanophenyl)carbonylphenyl] phenyl phosphate

Systemtic Name: sodium [4-(4-cyanophenyl)carbonylphenyl] phenyl phosphate Openeye Name: sodium [4-(4-cyanobenzoyl)phenyl] phenyl phosphate CAS Name: sodium [4-[(4-cyanophenyl)-oxomethyl]phenyl] phenyl phosphate IUPAC Name: sodium [4-(4-cyanobenzoyl)phenyl] phenyl phosphate Traditional Name: sodium [4-(4-cyanobenzoyl)phenyl] phenyl phosphate Formula: C20H13NNaO5P MolecularWeight: 401.284451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14NO5P.Na/c21-14-15-6-8-16(9-7-15)20(22)17-10-12-19(13-11-17)26-27(23,24)25-18-4-2-1-3-5-18;/h1-13H,(H,23,24);/q;+1/p-1