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

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

Systemtic Name:8-tridecyl-1,5,9,13-tetrazacyclooctadecan-6-one trichloride
Openeye Name:8-tridecyl-1,5,9,13-tetrazacyclooctadecan-6-one trichloride
CAS Name:8-tridecyl-1,5,9,13-tetrazacyclooctadecan-6-one trichloride
IUPAC Name:8-tridecyl-1,5,9,13-tetrazacyclooctadecan-6-one trichloride
Traditional Name:8-tridecyl-1,5,9,13-tetrazacyclooctadecan-6-one trichloride
Formula: C27H56Cl3N4O-3
MolecularWeight: 559.11874
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CC(=O)NCCCNCCCCCNCCCN1.[Cl-].[Cl-].[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCC1CC(=O)NCCCNCCCCCNCCCN1.[Cl-].[Cl-].[Cl-]


InChI

InChI=1S/C27H56N4O.3ClH/c1-2-3-4-5-6-7-8-9-10-11-13-18-26-25-27(32)31-24-17-22-29-20-15-12-14-19-28-21-16-23-30-26;;;/h26,28-30H,2-25H2,1H3,(H,31,32);3*1H/p-3


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