sodium (3,5-dimethylphenyl) [4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl] phosphate

Systemtic Name: sodium (3,5-dimethylphenyl) [4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl] phosphate Openeye Name: sodium (3,5-dimethylphenyl) [4-(2-hydroxy-2-phenyl-acetyl)phenyl] phosphate CAS Name: sodium (3,5-dimethylphenyl) [4-(2-hydroxy-1-oxo-2-phenylethyl)phenyl] phosphate IUPAC Name: sodium (3,5-dimethylphenyl) [4-(2-hydroxy-2-phenylacetyl)phenyl] phosphate Traditional Name: sodium (3,5-dimethylphenyl) (4-mandeloylphenyl) phosphate Formula: C22H20NaO6P MolecularWeight: 434.354131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21O6P.Na/c1-15-12-16(2)14-20(13-15)28-29(25,26)27-19-10-8-18(9-11-19)22(24)21(23)17-6-4-3-5-7-17;/h3-14,21,23H,1-2H3,(H,25,26);/q;+1/p-1