3-[bis(3-oxidanylpropyl)azaniumyl]propyl-(3-octadecoxypropyl)-(3-oxidanylpropyl)azanium diethanoate

Systemtic Name: 3-[bis(3-oxidanylpropyl)azaniumyl]propyl-(3-octadecoxypropyl)-(3-oxidanylpropyl)azanium diethanoate Openeye Name: bis(3-hydroxypropyl)-[3-[3-hydroxypropyl(3-octadecoxypropyl)ammonio]propyl]ammonium diacetate CAS Name: bis(3-hydroxypropyl)-[3-[3-hydroxypropyl(3-octadecoxypropyl)ammonio]propyl]ammonium diacetate IUPAC Name: bis(3-hydroxypropyl)-[3-[3-hydroxypropyl(3-octadecoxypropyl)azaniumyl]propyl]azanium diacetate Traditional Name: bis(3-hydroxypropyl)-[3-[3-hydroxypropyl(3-stearyloxypropyl)ammonio]propyl]ammonium diacetate Formula: C37H78N2O8 MolecularWeight: 679.02382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCC[NH+](CCC[NH+](CCCO)CCCO)CCCO.CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCC[NH+](CCC[NH+](CCCO)CCCO)CCCO.CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C33H70N2O4.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32-39-33-22-28-35(27-21-31-38)24-18-23-34(25-19-29-36)26-20-30-37;2*1-2(3)4/h36-38H,2-33H2,1H3;2*1H3,(H,3,4)