carbanide; cyclododecane-1,5,9-triamine; methanol; titanium(3+); trichloride

Systemtic Name: carbanide; cyclododecane-1,5,9-triamine; methanol; titanium(3+); trichloride Openeye Name: carbanide; cyclododecane-1,5,9-triamine; methanol; titanium(3+); trichloride CAS Name: carbanide; cyclododecane-1,5,9-triamine; methanol; titanium(3+); trichloride IUPAC Name: carbanide; cyclododecane-1,5,9-triamine; methanol; titanium(3+); trichloride Traditional Name: carbanide; (5,9-diaminocyclododecyl)amine; methanol; titanium(3+); trichloride Formula: C15H36Cl3N3OTi-3 MolecularWeight: 428.69184

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CO.C1CC(CCC[C-](CCCC(C1)N)N)N.[Cl-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

[CH3-].[CH3-].CO.C1CC(CCC[C-](CCCC(C1)N)N)N.[Cl-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C12H26N3.CH4O.2CH3.3ClH.Ti/c13-10-4-1-5-11(14)7-3-9-12(15)8-2-6-10;1-2;;;;;;/h10-11H,1-9,13-15H2;2H,1H3;2*1H3;3*1H;/q-1;;2*-1;;;;+3/p-3