2-hydroxyethyl-bis[2-[(E)-octadec-9-enoyl]oxyethyl]azanium ethanoate

Systemtic Name: 2-hydroxyethyl-bis[2-[(E)-octadec-9-enoyl]oxyethyl]azanium ethanoate Openeye Name: 2-hydroxyethyl-bis[2-[(E)-octadec-9-enoyl]oxyethyl]ammonium acetate CAS Name: 2-hydroxyethyl-bis[2-[(E)-1-oxooctadec-9-enoxy]ethyl]ammonium acetate IUPAC Name: 2-hydroxyethyl-bis[2-[(E)-octadec-9-enoyl]oxyethyl]azanium acetate Traditional Name: 2-hydroxyethyl-bis[2-[(E)-octadec-9-enoyl]oxyethyl]ammonium acetate Formula: C44H83NO7 MolecularWeight: 738.13232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC[NH+](CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC[NH+](CCOC(=O)CCCCCCC/C=C/CCCCCCCC)CCO.CC(=O)[O-]

InChI

InChI=1S/C42H79NO5.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/h17-20,44H,3-16,21-40H2,1-2H3;1H3,(H,3,4)/b19-17+,20-18+;