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

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (E)-octadec-9-enoic acid Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (E)-octadec-9-enoic acid CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (E)-9-octadecenoic acid IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; (E)-octadec-9-enoic acid Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; elaidic acid Formula: C60H117NO9 MolecularWeight: 996.57228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.C(CO)N(CCO)CCO

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.CCCCCCCC/C=C/CCCCCCCC(=O)O.C(N(CCO)CCO)CO

InChI

InChI=1S/3C18H34O2.C6H15NO3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);8-10H,1-6H2/b3*10-9+;