1-methyl-2,5,8,11-tetrakis(trifluoromethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1-methyl-2,5,8,11-tetrakis(trifluoromethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1-methyl-2,5,8,11-tetrakis(trifluoromethyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1-methyl-2,5,8,11-tetrakis(trifluoromethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1-methyl-2,5,8,11-tetrakis(trifluoromethyl)-1,4,7,10-tetrazacyclododecane Traditional Name: 1-methyl-2,5,8,11-tetrakis(trifluoromethyl)-1,4,7,10-tetrazacyclododecane Formula: C13H18F12N4 MolecularWeight: 458.289658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(NCC(NCC(NCC1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CN1CC(NCC(NCC(NCC1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H18F12N4/c1-29-5-8(12(20,21)22)27-3-6(10(14,15)16)26-2-7(11(17,18)19)28-4-9(29)13(23,24)25/h6-9,26-28H,2-5H2,1H3