(E)-3-[(E)-2-(4,5-dihydro-1H-imidazol-2-yl)octadec-9-enyl]-4-oxidanylidene-henicos-12-enal

Systemtic Name: (E)-3-[(E)-2-(4,5-dihydro-1H-imidazol-2-yl)octadec-9-enyl]-4-oxidanylidene-henicos-12-enal Openeye Name: (E)-3-[(E)-2-(4,5-dihydro-1H-imidazol-2-yl)octadec-9-enyl]-4-oxo-henicos-12-enal CAS Name: (E)-3-[(E)-2-(4,5-dihydro-1H-imidazol-2-yl)octadec-9-enyl]-4-oxo-12-heneicosenal IUPAC Name: (E)-3-[(E)-2-(4,5-dihydro-1H-imidazol-2-yl)octadec-9-enyl]-4-oxohenicos-12-enal Traditional Name: (E)-3-[(E)-2-(2-imidazolin-2-yl)octadec-9-enyl]-4-keto-heneicos-12-enal Formula: C42H76N2O2 MolecularWeight: 641.06504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(CC=O)CC(CCCCCCC=CCCCCCCCC)C1=NCCN1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(CC=O)CC(CCCCCC/C=C/CCCCCCCC)C1=NCCN1

InChI

InChI=1S/C42H76N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(46)39(34-37-45)38-40(42-43-35-36-44-42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,39-40H,3-16,21-36,38H2,1-2H3,(H,43,44)/b19-17+,20-18+