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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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