1,5,9-tris[(E)-octadec-9-enyl]-1,5,9-triazacyclododecane

Systemtic Name: 1,5,9-tris[(E)-octadec-9-enyl]-1,5,9-triazacyclododecane Openeye Name: 1,5,9-tris[(E)-octadec-9-enyl]-1,5,9-triazacyclododecane CAS Name: 1,5,9-tris[(E)-octadec-9-enyl]-1,5,9-triazacyclododecane IUPAC Name: 1,5,9-tris[(E)-octadec-9-enyl]-1,5,9-triazacyclododecane Traditional Name: 1,5,9-tris[(E)-octadec-9-enyl]-1,5,9-triazacyclododecane Formula: C63H123N3 MolecularWeight: 922.67082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN1CCCN(CCCN(CCC1)CCCCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN1CCCN(CCCN(CCC1)CCCCCCCC/C=C/CCCCCCCC)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C63H123N3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55-64-58-52-60-65(56-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)62-54-63-66(61-53-59-64)57-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-63H2,1-3H3/b28-25+,29-26+,30-27+