2-[ethyl(2-hydroxyethyl)amino]ethanol; (E)-12-oxidanyloctadec-9-enoic acid

Systemtic Name: 2-[ethyl(2-hydroxyethyl)amino]ethanol; (E)-12-oxidanyloctadec-9-enoic acid Openeye Name: 2-[ethyl(2-hydroxyethyl)amino]ethanol; (E)-12-hydroxyoctadec-9-enoic acid CAS Name: 2-[ethyl(2-hydroxyethyl)amino]ethanol; (E)-12-hydroxy-9-octadecenoic acid IUPAC Name: 2-[ethyl(2-hydroxyethyl)amino]ethanol; (E)-12-hydroxyoctadec-9-enoic acid Traditional Name: 2-[ethyl(2-hydroxyethyl)amino]ethanol; (E)-12-hydroxyoctadec-9-enoic acid Formula: C42H83NO8 MolecularWeight: 730.11032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)O.CCCCCCC(CC=CCCCCCCCC(=O)O)O.CCN(CCO)CCO

Isomeric SMILES

CCCCCCC(O)C/C=C/CCCCCCCC(=O)O.CCCCCCC(O)C/C=C/CCCCCCCC(=O)O.CCN(CCO)CCO

InChI

InChI=1S/2C18H34O3.C6H15NO2/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-2-7(3-5-8)4-6-9/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);8-9H,2-6H2,1H3/b2*12-9+;