(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)octadec-2-en-1-ol; (E)-octadec-9-enoic acid

Systemtic Name: (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)octadec-2-en-1-ol; (E)-octadec-9-enoic acid Openeye Name: (E)-2-(4,5-dihydrooxazol-2-yl)octadec-2-en-1-ol; (E)-octadec-9-enoic acid CAS Name: (E)-2-(4,5-dihydrooxazol-2-yl)-2-octadecen-1-ol; (E)-9-octadecenoic acid IUPAC Name: (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)octadec-2-en-1-ol; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; (E)-2-(2-oxazolin-2-yl)octadec-2-en-1-ol Formula: C39H73NO4 MolecularWeight: 620.00122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=C(CO)C1=NCCO1.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C(\CO)/C1=NCCO1.CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C21H39NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(19-23)21-22-17-18-24-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16,23H,2-15,17-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b20-16+;10-9+