2,5-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole; methyl hydrogen sulfate

Systemtic Name: 2,5-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole; methyl hydrogen sulfate Openeye Name: 2,5-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole; methyl hydrogen sulfate CAS Name: 2,5-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole; sulfuric acid methyl ester IUPAC Name: 2,5-bis[(E)-octadec-9-enyl]-4,5-dihydro-1H-imidazole; methyl hydrogen sulfate Traditional Name: 2,4-bis[(E)-octadec-9-enyl]-2-imidazoline; sulfuric acid methyl ester Formula: C40H78N2O4S MolecularWeight: 683.12332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC1CN=C(N1)CCCCCCCCC=CCCCCCCCC.COS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC1CN=C(N1)CCCCCCCC/C=C/CCCCCCCC.COS(=O)(=O)O

InChI

InChI=1S/C39H74N2.CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37-40-39(41-38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6(2,3)4/h17-20,38H,3-16,21-37H2,1-2H3,(H,40,41);1H3,(H,2,3,4)/b19-17+,20-18+;