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

Systemtic Name: (E)-octadec-9-enoic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1,3-oxazole Openeye Name: (E)-octadec-9-enoic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydrooxazole CAS Name: (E)-9-octadecenoic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydrooxazole IUPAC Name: (E)-octadec-9-enoic acid; 2-[(E)-octadec-9-enyl]-4,5-dihydro-1,3-oxazole Traditional Name: elaidic acid; 2-[(E)-octadec-9-enyl]-2-oxazoline Formula: C39H73NO3 MolecularWeight: 604.00182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1=NCCO1.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1=NCCO1.CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C21H39NO.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-20H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9+