(E)-octadec-9-enoic acid; 1-[(E)-octadec-9-enyl]-4,5-dihydroimidazole

Systemtic Name: (E)-octadec-9-enoic acid; 1-[(E)-octadec-9-enyl]-4,5-dihydroimidazole Openeye Name: (E)-octadec-9-enoic acid; 1-[(E)-octadec-9-enyl]-4,5-dihydroimidazole CAS Name: (E)-9-octadecenoic acid; 1-[(E)-octadec-9-enyl]-4,5-dihydroimidazole IUPAC Name: (E)-octadec-9-enoic acid; 1-[(E)-octadec-9-enyl]-4,5-dihydroimidazole Traditional Name: elaidic acid; 1-[(E)-octadec-9-enyl]-2-imidazoline Formula: C39H74N2O2 MolecularWeight: 603.01706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN1CCN=C1.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN1CCN=C1.CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C21H40N2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-20-18-22-21-23;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,21H,2-8,11-20H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b2*10-9+