phosphonato phosphate; tributylazanium

Systemtic Name: phosphonato phosphate; tributylazanium Openeye Name: phosphonato phosphate; tributylammonium CAS Name: phosphonato phosphate; tributylammonium IUPAC Name: phosphonato phosphate; tributylazanium Traditional Name: phosphonato phosphate; tributylammonium Formula: C48H112N4O7P2 MolecularWeight: 919.373002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C12H27N.H4O7P2/c4*1-4-7-10-13(11-8-5-2)12-9-6-3;1-8(2,3)7-9(4,5)6/h4*4-12H2,1-3H3;(H2,1,2,3)(H2,4,5,6)