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

Systemtic Name: benzene; carbanide; cyclododecane-1,4,7,10-tetramine; titanium(4+); dichloride Openeye Name: benzene; carbanide; cyclododecane-1,4,7,10-tetramine; titanium(4+); dichloride CAS Name: benzene; carbanide; cyclododecane-1,4,7,10-tetramine; titanium(4+); dichloride IUPAC Name: benzene; carbanide; cyclododecane-1,4,7,10-tetramine; titanium(4+); dichloride Traditional Name: benzene; carbanide; titanium(4+); (4,7,10-triaminocyclododecyl)amine; dichloride Formula: C20H38Cl2N4Ti-2 MolecularWeight: 453.31552

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1CC(CC[C-](CCC(CCC1N)N)N)N.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

[CH3-].[CH3-].C1CC(CC[C-](CCC(CCC1N)N)N)N.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C12H27N4.C6H5.2CH3.2ClH.Ti/c13-9-1-2-10(14)5-6-12(16)8-7-11(15)4-3-9;1-2-4-6-5-3-1;;;;;/h9-11H,1-8,13-16H2;1-5H;2*1H3;2*1H;/q4*-1;;;+4/p-2