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2-hydroxyethyl-bis(2-octadecanoyloxyethyl)azanium ethanoate

2-hydroxyethyl-bis(2-octadecanoyloxyethyl)azanium ethanoate

Systemtic Name:2-hydroxyethyl-bis(2-octadecanoyloxyethyl)azanium ethanoate
Openeye Name:2-hydroxyethyl-bis(2-octadecanoyloxyethyl)ammonium acetate
CAS Name:2-hydroxyethyl-bis[2-(1-oxooctadecoxy)ethyl]ammonium acetate
IUPAC Name:2-hydroxyethyl-bis(2-octadecanoyloxyethyl)azanium acetate
Traditional Name:2-hydroxyethyl-bis(2-stearoyloxyethyl)ammonium acetate
Formula: C44H87NO7
MolecularWeight: 742.16408
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCOC(=O)CCCCCCCCCCCCCCCCC.CC(=O)[O-]


InChI

InChI=1S/C42H83NO5.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h44H,3-40H2,1-2H3;1H3,(H,3,4)


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