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

Systemtic Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; (E)-octadec-9-enoic acid; ethanoate Openeye Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; (E)-octadec-9-enoic acid; acetate CAS Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; (E)-9-octadecenoic acid; acetate IUPAC Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; (E)-octadec-9-enoic acid; acetate Traditional Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; elaidic acid; acetate Formula: C26H52NNaO7 MolecularWeight: 513.68335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)O.CC(=O)[O-].C(CO)N(CCO)CCO.[Na+]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O.CC(=O)[O-].C(CO)N(CCO)CCO.[Na+]

InChI

InChI=1S/C18H34O2.C6H15NO3.C2H4O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10;1-2(3)4;/h9-10H,2-8,11-17H2,1H3,(H,19,20);8-10H,1-6H2;1H3,(H,3,4);/q;;;+1/p-1/b10-9+;;;