dihexylazanium; phosphonato phosphate

Systemtic Name: dihexylazanium; phosphonato phosphate Openeye Name: dihexylammonium; phosphonato phosphate CAS Name: dihexylammonium; phosphonato phosphate IUPAC Name: dihexylazanium; phosphonato phosphate Traditional Name: dihexylammonium; phosphonato phosphate Formula: C48H112N4O7P2 MolecularWeight: 919.373002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CCCCCC.CCCCCC[NH2+]CCCCCC.CCCCCC[NH2+]CCCCCC.CCCCCC[NH2+]CCCCCC.[O-]P(=O)([O-])OP(=O)([O-])[O-]

Isomeric SMILES

CCCCCC[NH2+]CCCCCC.CCCCCC[NH2+]CCCCCC.CCCCCC[NH2+]CCCCCC.CCCCCC[NH2+]CCCCCC.[O-]P(=O)([O-])OP(=O)([O-])[O-]

InChI

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