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

Systemtic Name: sodium (4-methylphenyl) [4-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate Openeye Name: sodium [4-(3-oxo-3-phenyl-propyl)phenyl] p-tolyl phosphate CAS Name: sodium (4-methylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate IUPAC Name: sodium (4-methylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate Traditional Name: sodium [4-(3-keto-3-phenyl-propyl)phenyl] p-tolyl phosphate Formula: C22H20NaO5P MolecularWeight: 418.354731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21O5P.Na/c1-17-7-12-20(13-8-17)26-28(24,25)27-21-14-9-18(10-15-21)11-16-22(23)19-5-3-2-4-6-19;/h2-10,12-15H,11,16H2,1H3,(H,24,25);/q;+1/p-1