sodium [3,5-dimethyl-4-(phenylcarbonyl)phenyl] (3-methoxyphenyl) phosphate

Systemtic Name: sodium [3,5-dimethyl-4-(phenylcarbonyl)phenyl] (3-methoxyphenyl) phosphate Openeye Name: sodium (4-benzoyl-3,5-dimethyl-phenyl) (3-methoxyphenyl) phosphate CAS Name: sodium (4-benzoyl-3,5-dimethylphenyl) (3-methoxyphenyl) phosphate IUPAC Name: sodium (4-benzoyl-3,5-dimethylphenyl) (3-methoxyphenyl) phosphate Traditional Name: sodium (4-benzoyl-3,5-dimethyl-phenyl) (3-methoxyphenyl) phosphate Formula: C22H20NaO6P MolecularWeight: 434.354131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)C)OP(=O)([O-])OC3=CC=CC(=C3)OC.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)C)OP(=O)([O-])OC3=CC=CC(=C3)OC.[Na+]

InChI

InChI=1S/C22H21O6P.Na/c1-15-12-20(13-16(2)21(15)22(23)17-8-5-4-6-9-17)28-29(24,25)27-19-11-7-10-18(14-19)26-3;/h4-14H,1-3H3,(H,24,25);/q;+1/p-1