(3-diethoxyphosphoryloxy-2,4,5-trimethyl-phenyl)azanium; methyl sulfate

Systemtic Name: (3-diethoxyphosphoryloxy-2,4,5-trimethyl-phenyl)azanium; methyl sulfate Openeye Name: (3-diethoxyphosphoryloxy-2,4,5-trimethyl-phenyl)ammonium; methyl sulfate CAS Name: (3-diethoxyphosphoryloxy-2,4,5-trimethylphenyl)ammonium; methyl sulfate IUPAC Name: (3-diethoxyphosphoryloxy-2,4,5-trimethylphenyl)azanium; methyl sulfate Traditional Name: (3-diethoxyphosphoryloxy-2,4,5-trimethyl-phenyl)ammonium; methyl sulfate Formula: C14H26NO8PS MolecularWeight: 399.396901

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)OC1=C(C(=CC(=C1C)[NH3+])C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCOP(=O)(OCC)OC1=C(C(=CC(=C1C)[NH3+])C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H22NO4P.CH4O4S/c1-6-16-19(15,17-7-2)18-13-10(4)9(3)8-12(14)11(13)5;1-5-6(2,3)4/h8H,6-7,14H2,1-5H3;1H3,(H,2,3,4)