sodium (2-methylphenyl) [4-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate

Systemtic Name: sodium (2-methylphenyl) [4-(3-oxidanylidene-3-phenyl-propyl)phenyl] phosphate Openeye Name: sodium o-tolyl [4-(3-oxo-3-phenyl-propyl)phenyl] phosphate CAS Name: sodium (2-methylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate IUPAC Name: sodium (2-methylphenyl) [4-(3-oxo-3-phenylpropyl)phenyl] phosphate Traditional Name: sodium [4-(3-keto-3-phenyl-propyl)phenyl] o-tolyl phosphate Formula: C22H20NaO5P MolecularWeight: 418.354731

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OP(=O)([O-])OC2=CC=C(C=C2)CCC(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=CC=CC=C1OP(=O)([O-])OC2=CC=C(C=C2)CCC(=O)C3=CC=CC=C3.[Na+]

InChI

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