sodium (2,5-dimethylphenyl) [4-(3-fluorophenyl)carbonylphenyl] phosphate

Systemtic Name: sodium (2,5-dimethylphenyl) [4-(3-fluorophenyl)carbonylphenyl] phosphate Openeye Name: sodium (2,5-dimethylphenyl) [4-(3-fluorobenzoyl)phenyl] phosphate CAS Name: sodium (2,5-dimethylphenyl) [4-[(3-fluorophenyl)-oxomethyl]phenyl] phosphate IUPAC Name: sodium (2,5-dimethylphenyl) [4-(3-fluorobenzoyl)phenyl] phosphate Traditional Name: sodium (2,5-dimethylphenyl) [4-(3-fluorobenzoyl)phenyl] phosphate Formula: C21H17FNaO5P MolecularWeight: 422.318614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OP(=O)([O-])OC2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F.[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OP(=O)([O-])OC2=CC=C(C=C2)C(=O)C3=CC(=CC=C3)F.[Na+]

InChI

InChI=1S/C21H18FO5P.Na/c1-14-6-7-15(2)20(12-14)27-28(24,25)26-19-10-8-16(9-11-19)21(23)17-4-3-5-18(22)13-17;/h3-13H,1-2H3,(H,24,25);/q;+1/p-1