2-(hydroxymethyl)-6-[[(E)-octadec-9-enyl]-octadecyl-amino]oxane-3,4,5-triol

Systemtic Name: 2-(hydroxymethyl)-6-[[(E)-octadec-9-enyl]-octadecyl-amino]oxane-3,4,5-triol Openeye Name: 2-(hydroxymethyl)-6-[[(E)-octadec-9-enyl]-octadecyl-amino]tetrahydropyran-3,4,5-triol CAS Name: 2-(hydroxymethyl)-6-[[(E)-octadec-9-enyl]-octadecylamino]oxane-3,4,5-triol IUPAC Name: 2-(hydroxymethyl)-6-[[(E)-octadec-9-enyl]-octadecylamino]oxane-3,4,5-triol Traditional Name: 2-methylol-6-[[(E)-octadec-9-enyl]-stearyl-amino]tetrahydropyran-3,4,5-triol Formula: C42H83NO5 MolecularWeight: 682.11212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCC=CCCCCCCCC)C1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCC/C=C/CCCCCCCC)C1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43(42-41(47)40(46)39(45)38(37-44)48-42)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,38-42,44-47H,3-16,18,20-37H2,1-2H3/b19-17+