phosphonatooxymethyl phosphate; tributylazanium

Systemtic Name: phosphonatooxymethyl phosphate; tributylazanium Openeye Name: phosphonatooxymethyl phosphate; tributylammonium CAS Name: phosphonatooxymethyl phosphate; tributylammonium IUPAC Name: phosphonatooxymethyl phosphate; tributylazanium Traditional Name: phosphatomethyl phosphate; tributylammonium Formula: C13H30NO8P2-3 MolecularWeight: 390.326722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCCC.C(OP(=O)([O-])[O-])OP(=O)([O-])[O-]

Isomeric SMILES

CCCC[NH+](CCCC)CCCC.C(OP(=O)([O-])[O-])OP(=O)([O-])[O-]

InChI

InChI=1S/C12H27N.CH6O8P2/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-10(3,4)8-1-9-11(5,6)7/h4-12H2,1-3H3;1H2,(H2,2,3,4)(H2,5,6,7)/p-3