diethyl sulfate; 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol

Systemtic Name: diethyl sulfate; 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol Openeye Name: diethyl sulfate; 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol CAS Name: 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol; sulfuric acid diethyl ester IUPAC Name: diethyl sulfate; 2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethanol Traditional Name: 2-[2-[(E)-heptadec-8-enyl]-2-imidazolin-1-yl]ethanol; sulfuric acid diethyl ester Formula: C26H52N2O5S MolecularWeight: 504.76648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC1=NCCN1CCO.CCOS(=O)(=O)OCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCO.CCOS(=O)(=O)OCC

InChI

InChI=1S/C22H42N2O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-23-18-19-24(22)20-21-25;1-3-7-9(5,6)8-4-2/h9-10,25H,2-8,11-21H2,1H3;3-4H2,1-2H3/b10-9+;