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4-tridecyl-1,5,9,13-tetrazacyclohexadecan-2-one trichloride

4-tridecyl-1,5,9,13-tetrazacyclohexadecan-2-one trichloride

Systemtic Name:4-tridecyl-1,5,9,13-tetrazacyclohexadecan-2-one trichloride
Openeye Name:4-tridecyl-1,5,9,13-tetrazacyclohexadecan-2-one trichloride
CAS Name:4-tridecyl-1,5,9,13-tetrazacyclohexadecan-2-one trichloride
IUPAC Name:4-tridecyl-1,5,9,13-tetrazacyclohexadecan-2-one trichloride
Traditional Name:4-tridecyl-1,5,9,13-tetrazacyclohexadecan-2-one trichloride
Formula: C25H52Cl3N4O-3
MolecularWeight: 531.06558
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CC(=O)NCCCNCCCNCCCN1.[Cl-].[Cl-].[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCC1CC(=O)NCCCNCCCNCCCN1.[Cl-].[Cl-].[Cl-]


InChI

InChI=1S/C25H52N4O.3ClH/c1-2-3-4-5-6-7-8-9-10-11-12-16-24-23-25(30)29-22-15-20-27-18-13-17-26-19-14-21-28-24;;;/h24,26-28H,2-23H2,1H3,(H,29,30);3*1H/p-3


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