carbanide; cyclododecane-1,4,7,10-tetramine; methanol; titanium(3+); dichloride

Systemtic Name: carbanide; cyclododecane-1,4,7,10-tetramine; methanol; titanium(3+); dichloride Openeye Name: carbanide; cyclododecane-1,4,7,10-tetramine; methanol; titanium(3+); dichloride CAS Name: carbanide; cyclododecane-1,4,7,10-tetramine; methanol; titanium(3+); dichloride IUPAC Name: carbanide; cyclododecane-1,4,7,10-tetramine; methanol; titanium(3+); dichloride Traditional Name: carbanide; methanol; titanium(3+); (4,7,10-triaminocyclododecyl)amine; dichloride Formula: C15H37Cl2N4OTi-2 MolecularWeight: 408.25348

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CO.C1CC(CC[C-](CCC(CCC1N)N)N)N.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

[CH3-].[CH3-].CO.C1CC(CC[C-](CCC(CCC1N)N)N)N.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C12H27N4.CH4O.2CH3.2ClH.Ti/c13-9-1-2-10(14)5-6-12(16)8-7-11(15)4-3-9;1-2;;;;;/h9-11H,1-8,13-16H2;2H,1H3;2*1H3;2*1H;/q-1;;2*-1;;;+3/p-2