dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethyl-azanium diphosphate

Systemtic Name: dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethyl-azanium diphosphate Openeye Name: dibutyl-[6-[dibutyl(ethyl)ammonio]hexyl]-ethyl-ammonium diphosphate CAS Name: dibutyl-[6-[dibutyl(ethyl)ammonio]hexyl]-ethylammonium diphosphate IUPAC Name: dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethylazanium diphosphate Traditional Name: dibutyl-[6-[dibutyl(ethyl)ammonio]hexyl]-ethyl-ammonium diphosphate Formula: C78H174N6O8P2 MolecularWeight: 1386.199082

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CC)(CCCC)CCCCCC[N+](CC)(CCCC)CCCC.CCCC[N+](CC)(CCCC)CCCCCC[N+](CC)(CCCC)CCCC.CCCC[N+](CC)(CCCC)CCCCCC[N+](CC)(CCCC)CCCC.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCC[N+](CC)(CCCC)CCCCCC[N+](CC)(CCCC)CCCC.CCCC[N+](CC)(CCCC)CCCCCC[N+](CC)(CCCC)CCCC.CCCC[N+](CC)(CCCC)CCCCCC[N+](CC)(CCCC)CCCC.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C26H58N2.2H3O4P/c3*1-7-13-21-27(11-5,22-14-8-2)25-19-17-18-20-26-28(12-6,23-15-9-3)24-16-10-4;2*1-5(2,3)4/h3*7-26H2,1-6H3;2*(H3,1,2,3,4)/q3*+2;;/p-6