2,3-dimethyl-1,4,7,10-tetraza-13-azanidacyclopentadecane; manganese(3+); isothiocyanate; thiocyanate

Systemtic Name: 2,3-dimethyl-1,4,7,10-tetraza-13-azanidacyclopentadecane; manganese(3+); isothiocyanate; thiocyanate Openeye Name: manganic 2,3-dimethyl-1,4,7,10-tetraza-13-azanidacyclopentadecane isothiocyanate thiocyanate CAS Name: 2,3-dimethyl-1,4,7,10-tetraza-13-azanidacyclopentadecane; manganese(3+); isothiocyanate; thiocyanate IUPAC Name: 2,3-dimethyl-1,4,7,10-tetraza-13-azanidacyclopentadecane; manganese(3+); isothiocyanate; thiocyanate Traditional Name: manganic 2,3-dimethyl-1,4,7,10-tetraza-13-azanidacyclopentadecane isothiocyanate thiocyanate Formula: C14H28MnN7S2 MolecularWeight: 413.487069

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(NCC[N-]CCNCCNCCN1)C.C(=[N-])=S.C(#N)[S-].[Mn+3]

Isomeric SMILES

CC1C(NCC[N-]CCNCCNCCN1)C.C(=[N-])=S.C(#N)[S-].[Mn+3]

InChI

InChI=1S/C12H28N5.CHNS.CNS.Mn/c1-11-12(2)17-10-8-15-6-4-13-3-5-14-7-9-16-11;2*2-1-3;/h11-14,16-17H,3-10H2,1-2H3;3H;;/q-1;;-1;+3/p-1