(Z)-docos-13-enoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: (Z)-docos-13-enoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: (Z)-docos-13-enoic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: (Z)-13-docosenoic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: (Z)-docos-13-enoic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: erucic acid; 2-(2-hydroxyethylamino)ethanol Formula: C26H53NO4 MolecularWeight: 443.70332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)O.C(CO)NCCO

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O.C(CO)NCCO

InChI

InChI=1S/C22H42O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;6-3-1-5-2-4-7/h9-10H,2-8,11-21H2,1H3,(H,23,24);5-7H,1-4H2/b10-9-;