9-octylheptadecan-9-ylazanium phosphate

Systemtic Name: 9-octylheptadecan-9-ylazanium phosphate Openeye Name: 1,1-dioctylnonylammonium phosphate CAS Name: 9-octylheptadecan-9-ylammonium phosphate IUPAC Name: 9-octylheptadecan-9-ylazanium phosphate Traditional Name: 1,1-dioctylnonylammonium phosphate Formula: C25H54NO4P-2 MolecularWeight: 463.674321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)(CCCCCCCC)[NH3+].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C25H53N.H3O4P/c1-4-7-10-13-16-19-22-25(26,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-5(2,3)4/h4-24,26H2,1-3H3;(H3,1,2,3,4)/p-2