2-[(E)-heptadec-1-enyl]-4,5-dihydro-1,3-oxazole; (E)-octadec-9-enoic acid

Systemtic Name: 2-[(E)-heptadec-1-enyl]-4,5-dihydro-1,3-oxazole; (E)-octadec-9-enoic acid Openeye Name: 2-[(E)-heptadec-1-enyl]-4,5-dihydrooxazole; (E)-octadec-9-enoic acid CAS Name: 2-[(E)-heptadec-1-enyl]-4,5-dihydrooxazole; (E)-9-octadecenoic acid IUPAC Name: 2-[(E)-heptadec-1-enyl]-4,5-dihydro-1,3-oxazole; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; 2-[(E)-heptadec-1-enyl]-2-oxazoline Formula: C38H71NO3 MolecularWeight: 589.97524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=CC1=NCCO1.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H37NO.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15,18-19H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b17-16+;10-9+