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

Systemtic Name: (3,5-dimethylphenyl) [4-(2-oxidanyl-2-phenyl-ethanoyl)phenyl] hydrogen phosphate Openeye Name: (3,5-dimethylphenyl) [4-(2-hydroxy-2-phenyl-acetyl)phenyl] hydrogen phosphate CAS Name: (3,5-dimethylphenyl) [4-(2-hydroxy-1-oxo-2-phenylethyl)phenyl] hydrogen phosphate IUPAC Name: (3,5-dimethylphenyl) [4-(2-hydroxy-2-phenylacetyl)phenyl] hydrogen phosphate Traditional Name: (3,5-dimethylphenyl) (4-mandeloylphenyl) hydrogen phosphate Formula: C22H21O6P MolecularWeight: 412.372301

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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

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)(O)OC2=CC=C(C=C2)C(=O)C(C3=CC=CC=C3)O)C

InChI

InChI=1S/C22H21O6P/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)