sodium [4-(3-aminophenyl)carbonylphenyl] methyl (3-methylphenyl) phosphate

Systemtic Name: sodium [4-(3-aminophenyl)carbonylphenyl] methyl (3-methylphenyl) phosphate Openeye Name: sodium [4-(3-aminobenzoyl)phenyl] methyl m-tolyl phosphate CAS Name: sodium phosphoric acid [4-[(3-aminophenyl)-oxomethyl]phenyl] methyl (3-methylphenyl) ester IUPAC Name: sodium [4-(3-aminobenzoyl)phenyl] methyl (3-methylphenyl) phosphate Traditional Name: sodium phosphoric acid [4-(3-aminobenzoyl)phenyl] methyl m-tolyl ester Formula: C21H20NNaO5P+ MolecularWeight: 420.350731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO5P.Na/c1-15-5-3-8-20(13-15)27-28(24,25-2)26-19-11-9-16(10-12-19)21(23)17-6-4-7-18(22)14-17;/h3-14H,22H2,1-2H3;/q;+1