2-[2-hydroxyethyl(methyl)amino]ethanol; (E)-octadec-9-enoic acid

Systemtic Name: 2-[2-hydroxyethyl(methyl)amino]ethanol; (E)-octadec-9-enoic acid Openeye Name: 2-[2-hydroxyethyl(methyl)amino]ethanol; (E)-octadec-9-enoic acid CAS Name: 2-[2-hydroxyethyl(methyl)amino]ethanol; (E)-9-octadecenoic acid IUPAC Name: 2-[2-hydroxyethyl(methyl)amino]ethanol; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; 2-[2-hydroxyethyl(methyl)amino]ethanol Formula: C41H81NO6 MolecularWeight: 684.08494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CN(CCO)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.CN(CCO)CCO

InChI

InChI=1S/2C18H34O2.C5H13NO2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6(2-4-7)3-5-8/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);7-8H,2-5H2,1H3/b2*10-9+;