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8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one trichloride

8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one trichloride

Systemtic Name:8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one trichloride
Openeye Name:8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one trichloride
CAS Name:8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one trichloride
IUPAC Name:8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one trichloride
Traditional Name:8-tridecyl-1,5,9,13-tetrazacycloheptadecan-6-one trichloride
Formula: C26H54Cl3N4O-3
MolecularWeight: 545.09216
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1.[Cl-].[Cl-].[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCC1CC(=O)NCCCNCCCCNCCCN1.[Cl-].[Cl-].[Cl-]


InChI

InChI=1S/C26H54N4O.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-17-25-24-26(31)30-23-16-21-28-19-14-13-18-27-20-15-22-29-25;;;/h25,27-29H,2-24H2,1H3,(H,30,31);3*1H/p-3


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