sodium (4-aminophenyl) [4-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate

Systemtic Name: sodium (4-aminophenyl) [4-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate Openeye Name: sodium (4-aminophenyl) [4-(3-oxo-3-phenyl-propyl)phenyl] phosphate CAS Name: sodium (4-aminophenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate IUPAC Name: sodium (4-aminophenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate Traditional Name: sodium (4-aminophenyl) [4-(3-keto-3-phenyl-propyl)phenyl] phosphate Formula: C21H19NNaO5P MolecularWeight: 419.342791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)OP(=O)([O-])OC3=CC=C(C=C3)N.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)OP(=O)([O-])OC3=CC=C(C=C3)N.[Na+]

InChI

InChI=1S/C21H20NO5P.Na/c22-18-9-13-20(14-10-18)27-28(24,25)26-19-11-6-16(7-12-19)8-15-21(23)17-4-2-1-3-5-17;/h1-7,9-14H,8,15,22H2,(H,24,25);/q;+1/p-1