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

Systemtic Name: sodium [4-[3-(4-fluorophenyl)-3-oxidanylidene-propyl]phenyl] phenyl phosphate Openeye Name: sodium [4-[3-(4-fluorophenyl)-3-oxo-propyl]phenyl] phenyl phosphate CAS Name: sodium [4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl] phenyl phosphate IUPAC Name: sodium [4-[3-(4-fluorophenyl)-3-oxopropyl]phenyl] phenyl phosphate Traditional Name: sodium [4-[3-(4-fluorophenyl)-3-keto-propyl]phenyl] phenyl phosphate Formula: C21H17FNaO5P MolecularWeight: 422.318614

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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=C(C=C3)F.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C21H18FO5P.Na/c22-18-11-9-17(10-12-18)21(23)15-8-16-6-13-20(14-7-16)27-28(24,25)26-19-4-2-1-3-5-19;/h1-7,9-14H,8,15H2,(H,24,25);/q;+1/p-1