2-(2-hydroxyethylamino)ethanol; (E)-12-oxidanyloctadec-9-enoic acid

Systemtic Name: 2-(2-hydroxyethylamino)ethanol; (E)-12-oxidanyloctadec-9-enoic acid Openeye Name: 2-(2-hydroxyethylamino)ethanol; (E)-12-hydroxyoctadec-9-enoic acid CAS Name: 2-(2-hydroxyethylamino)ethanol; (E)-12-hydroxy-9-octadecenoic acid IUPAC Name: 2-(2-hydroxyethylamino)ethanol; (E)-12-hydroxyoctadec-9-enoic acid Traditional Name: 2-(2-hydroxyethylamino)ethanol; (E)-12-hydroxyoctadec-9-enoic acid Formula: C22H45NO5 MolecularWeight: 403.5964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)O)O.C(CO)NCCO

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)O)O.C(CO)NCCO

InChI

InChI=1S/C18H34O3.C4H11NO2/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;6-3-1-5-2-4-7/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);5-7H,1-4H2/b12-9+;