sodium [2-(4-methylphenyl)carbonyl-5-morpholin-4-yl-phenyl] hydrogen phosphate

Systemtic Name: sodium [2-(4-methylphenyl)carbonyl-5-morpholin-4-yl-phenyl] hydrogen phosphate Openeye Name: sodium [2-(4-methylbenzoyl)-5-morpholino-phenyl] hydrogen phosphate CAS Name: sodium [2-[(4-methylphenyl)-oxomethyl]-5-(4-morpholinyl)phenyl] hydrogen phosphate IUPAC Name: sodium [2-(4-methylbenzoyl)-5-morpholin-4-ylphenyl] hydrogen phosphate Traditional Name: sodium (5-morpholino-2-p-toluoyl-phenyl) hydrogen phosphate Formula: C18H19NNaO6P MolecularWeight: 399.310091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N3CCOCC3)OP(=O)(O)[O-].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)N3CCOCC3)OP(=O)(O)[O-].[Na+]

InChI

InChI=1S/C18H20NO6P.Na/c1-13-2-4-14(5-3-13)18(20)16-7-6-15(19-8-10-24-11-9-19)12-17(16)25-26(21,22)23;/h2-7,12H,8-11H2,1H3,(H2,21,22,23);/q;+1/p-1