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dioxidanium; 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane; nickel(2+)

dioxidanium; 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane; nickel(2+)

Systemtic Name:dioxidanium; 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane; nickel(2+)
Openeye Name:nickelous dioxonium 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CAS Name:dioxonium; 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane; nickel(2+)
IUPAC Name:dioxidanium; 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane; nickel(2+)
Traditional Name:nickelous dioxonium 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
Formula: C16H42N4NiO2+4
MolecularWeight: 381.22368
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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NCCNC(CC(NCCN1)(C)C)C)(C)C.[OH3+].[OH3+].[Ni+2]


Isomeric SMILES

CC1CC(NCCNC(CC(NCCN1)(C)C)C)(C)C.[OH3+].[OH3+].[Ni+2]


InChI

InChI=1S/C16H36N4.Ni.2H2O/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13;;;/h13-14,17-20H,7-12H2,1-6H3;;2*1H2/q;+2;;/p+2


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