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

Systemtic Name: sodium (3-carboxyphenyl) [3,5-dimethyl-4-(phenylcarbonyl)phenyl] phosphate Openeye Name: sodium (4-benzoyl-3,5-dimethyl-phenyl) (3-carboxyphenyl) phosphate CAS Name: sodium (4-benzoyl-3,5-dimethylphenyl) (3-carboxyphenyl) phosphate IUPAC Name: sodium (4-benzoyl-3,5-dimethylphenyl) (3-carboxyphenyl) phosphate Traditional Name: sodium (4-benzoyl-3,5-dimethyl-phenyl) (3-carboxyphenyl) phosphate Formula: C22H18NaO7P MolecularWeight: 448.337651

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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)C(=O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H19O7P.Na/c1-14-11-19(12-15(2)20(14)21(23)16-7-4-3-5-8-16)29-30(26,27)28-18-10-6-9-17(13-18)22(24)25;/h3-13H,1-2H3,(H,24,25)(H,26,27);/q;+1/p-1