benzene; carbanide; cyclododecane-1,5,9-triamine; titanium(4+); trichloride

Systemtic Name: benzene; carbanide; cyclododecane-1,5,9-triamine; titanium(4+); trichloride Openeye Name: benzene; carbanide; cyclododecane-1,5,9-triamine; titanium(4+); trichloride CAS Name: benzene; carbanide; cyclododecane-1,5,9-triamine; titanium(4+); trichloride IUPAC Name: benzene; carbanide; cyclododecane-1,5,9-triamine; titanium(4+); trichloride Traditional Name: benzene; carbanide; (5,9-diaminocyclododecyl)amine; titanium(4+); trichloride Formula: C20H37Cl3N3Ti-3 MolecularWeight: 473.75388

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1CC(CCC[C-](CCCC(C1)N)N)N.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

[CH3-].[CH3-].C1CC(CCC[C-](CCCC(C1)N)N)N.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C12H26N3.C6H5.2CH3.3ClH.Ti/c13-10-4-1-5-11(14)7-3-9-12(15)8-2-6-10;1-2-4-6-5-3-1;;;;;;/h10-11H,1-9,13-15H2;1-5H;2*1H3;3*1H;/q4*-1;;;;+4/p-3