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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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