sodium [4-(2-carboxyphenyl)carbonylphenyl] (3,5-dimethylphenyl) phosphate

Systemtic Name: sodium [4-(2-carboxyphenyl)carbonylphenyl] (3,5-dimethylphenyl) phosphate Openeye Name: sodium [4-(2-carboxybenzoyl)phenyl] (3,5-dimethylphenyl) phosphate CAS Name: sodium [4-[(2-carboxyphenyl)-oxomethyl]phenyl] (3,5-dimethylphenyl) phosphate IUPAC Name: sodium [4-(2-carboxybenzoyl)phenyl] (3,5-dimethylphenyl) phosphate Traditional Name: sodium [4-(2-carboxybenzoyl)phenyl] (3,5-dimethylphenyl) phosphate Formula: C22H18NaO7P MolecularWeight: 448.337651

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)C.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)OP(=O)([O-])OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)C.[Na+]

InChI

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