bis(2-hydroxyethyl)-[(9E,12E)-octadeca-9,12-dienoyl]azanium ethanoate

Systemtic Name: bis(2-hydroxyethyl)-[(9E,12E)-octadeca-9,12-dienoyl]azanium ethanoate Openeye Name: bis(2-hydroxyethyl)-[(9E,12E)-octadeca-9,12-dienoyl]ammonium acetate CAS Name: bis(2-hydroxyethyl)-[(9E,12E)-1-oxooctadeca-9,12-dienyl]ammonium acetate IUPAC Name: bis(2-hydroxyethyl)-[(9E,12E)-octadeca-9,12-dienoyl]azanium acetate Traditional Name: bis(2-hydroxyethyl)-[(9E,12E)-octadeca-9,12-dienoyl]ammonium acetate Formula: C24H45NO5 MolecularWeight: 427.6178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)[NH+](CCO)CCO.CC(=O)[O-]

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)[NH+](CCO)CCO.CC(=O)[O-]

InChI

InChI=1S/C22H41NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25;1-2(3)4/h6-7,9-10,24-25H,2-5,8,11-21H2,1H3;1H3,(H,3,4)/b7-6+,10-9+;