sodium [4-[(2-cyanophenyl)methyl]phenyl] [3-(trifluoromethyl)phenyl] phosphate

Systemtic Name: sodium [4-[(2-cyanophenyl)methyl]phenyl] [3-(trifluoromethyl)phenyl] phosphate Openeye Name: sodium [4-[(2-cyanophenyl)methyl]phenyl] [3-(trifluoromethyl)phenyl] phosphate CAS Name: sodium [4-[(2-cyanophenyl)methyl]phenyl] [3-(trifluoromethyl)phenyl] phosphate IUPAC Name: sodium [4-[(2-cyanophenyl)methyl]phenyl] [3-(trifluoromethyl)phenyl] phosphate Traditional Name: sodium [4-(2-cyanobenzyl)phenyl] [3-(trifluoromethyl)phenyl] phosphate Formula: C21H14F3NNaO4P MolecularWeight: 455.298901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC(=C3)C(F)(F)F)C#N.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC=C(C=C2)OP(=O)([O-])OC3=CC=CC(=C3)C(F)(F)F)C#N.[Na+]

InChI

InChI=1S/C21H15F3NO4P.Na/c22-21(23,24)18-6-3-7-20(13-18)29-30(26,27)28-19-10-8-15(9-11-19)12-16-4-1-2-5-17(16)14-25;/h1-11,13H,12H2,(H,26,27);/q;+1/p-1