(E)-2-(4,5-dihydro-1,3-oxazol-2-yl)nonadec-10-en-1-ol; (E)-octadec-9-enoic acid

Systemtic Name: (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)nonadec-10-en-1-ol; (E)-octadec-9-enoic acid Openeye Name: (E)-2-(4,5-dihydrooxazol-2-yl)nonadec-10-en-1-ol; (E)-octadec-9-enoic acid CAS Name: (E)-2-(4,5-dihydrooxazol-2-yl)-10-nonadecen-1-ol; (E)-9-octadecenoic acid IUPAC Name: (E)-2-(4,5-dihydro-1,3-oxazol-2-yl)nonadec-10-en-1-ol; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; (E)-2-(2-oxazolin-2-yl)nonadec-10-en-1-ol Formula: C40H75NO4 MolecularWeight: 634.0278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(20-24)22-23-18-19-25-22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,21,24H,2-8,11-20H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9+