2,3-bis(oxidanyl)butanedioate; 2-[dimethyl(octadecyl)azaniumyl]ethyl-dimethyl-octadecyl-azanium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; 2-[dimethyl(octadecyl)azaniumyl]ethyl-dimethyl-octadecyl-azanium Openeye Name: 2,3-dihydroxybutanedioate; 2-[dimethyl(octadecyl)ammonio]ethyl-dimethyl-octadecyl-ammonium CAS Name: 2,3-dihydroxybutanedioate; 2-[dimethyl(octadecyl)ammonio]ethyl-dimethyl-octadecylammonium IUPAC Name: 2,3-dihydroxybutanedioate; 2-[dimethyl(octadecyl)azaniumyl]ethyl-dimethyl-octadecylazanium Traditional Name: 2-[dimethyl(stearyl)ammonio]ethyl-dimethyl-stearyl-ammonium tartrate Formula: C46H94N2O6 MolecularWeight: 771.24836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCCCCCCCC.C(C(C(=O)[O-])O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CC[N+](C)(C)CCCCCCCCCCCCCCCCCC.C(C(C(=O)[O-])O)(C(=O)[O-])O

InChI

InChI=1S/C42H90N2.C4H6O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43(3,4)41-42-44(5,6)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2;5-1(3(7)8)2(6)4(9)10/h7-42H2,1-6H3;1-2,5-6H,(H,7,8)(H,9,10)/q+2;/p-2