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

Systemtic Name: carbanide; cyclododecane-1,4,7,10-tetramine; ethanone; titanium(4+); dichloride Openeye Name: carbanide; cyclododecane-1,4,7,10-tetramine; ethanone; titanium(4+); dichloride CAS Name: carbanide; cyclododecane-1,4,7,10-tetramine; ethanone; titanium(4+); dichloride IUPAC Name: carbanide; cyclododecane-1,4,7,10-tetramine; ethanone; titanium(4+); dichloride Traditional Name: carbanide; ethanone; titanium(4+); (4,7,10-triaminocyclododecyl)amine; dichloride Formula: C16H36Cl2N4OTi-2 MolecularWeight: 419.25624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N4.C2H3O.2CH3.2ClH.Ti/c13-9-1-2-10(14)5-6-12(16)8-7-11(15)4-3-9;1-2-3;;;;;/h9-11H,1-8,13-16H2;1H3;2*1H3;2*1H;/q4*-1;;;+4/p-2