bis(2-hydroxyethyl)azanium; methane; phosphonato phosphate

Systemtic Name: bis(2-hydroxyethyl)azanium; methane; phosphonato phosphate Openeye Name: bis(2-hydroxyethyl)ammonium; methane; phosphonato phosphate CAS Name: bis(2-hydroxyethyl)ammonium; methane; phosphonato phosphate IUPAC Name: bis(2-hydroxyethyl)azanium; methane; phosphonato phosphate Traditional Name: bis(2-hydroxyethyl)ammonium; methane; phosphonato phosphate Formula: C17H52N4O15P2 MolecularWeight: 614.560102

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Descriptors Computed from Structure

Canonical SMILES:

C.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.[O-]P(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

C.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.C(CO)[NH2+]CCO.[O-]P(=O)([O-])OP(=O)([O-])[O-]

InChI

InChI=1S/4C4H11NO2.CH4.H4O7P2/c4*6-3-1-5-2-4-7;;1-8(2,3)7-9(4,5)6/h4*5-7H,1-4H2;1H4;(H2,1,2,3)(H2,4,5,6)