sodium diethylaminomethyl (2-methylphenyl) [4-(phenylcarbonyl)phenyl] phosphate

Systemtic Name: sodium diethylaminomethyl (2-methylphenyl) [4-(phenylcarbonyl)phenyl] phosphate Openeye Name: sodium (4-benzoylphenyl) diethylaminomethyl o-tolyl phosphate CAS Name: sodium phosphoric acid (4-benzoylphenyl) diethylaminomethyl (2-methylphenyl) ester IUPAC Name: sodium (4-benzoylphenyl) diethylaminomethyl (2-methylphenyl) phosphate Traditional Name: sodium phosphoric acid (4-benzoylphenyl) diethylaminomethyl o-tolyl ester Formula: C25H28NNaO5P+ MolecularWeight: 476.457051

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)COP(=O)(OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)OC3=CC=CC=C3C.[Na+]

Isomeric SMILES

CCN(CC)COP(=O)(OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)OC3=CC=CC=C3C.[Na+]

InChI

InChI=1S/C25H28NO5P.Na/c1-4-26(5-2)19-29-32(28,31-24-14-10-9-11-20(24)3)30-23-17-15-22(16-18-23)25(27)21-12-7-6-8-13-21;/h6-18H,4-5,19H2,1-3H3;/q;+1