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

Systemtic Name: carbanide; cyclododecane-1,5,9-triamine; phenol; titanium(3+); trichloride Openeye Name: carbanide; cyclododecane-1,5,9-triamine; phenol; titanium(3+); trichloride CAS Name: carbanide; cyclododecane-1,5,9-triamine; phenol; titanium(3+); trichloride IUPAC Name: carbanide; cyclododecane-1,5,9-triamine; phenol; titanium(3+); trichloride Traditional Name: carbanide; (5,9-diaminocyclododecyl)amine; phenol; titanium(3+); trichloride Formula: C20H38Cl3N3OTi-3 MolecularWeight: 490.76122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H26N3.C6H6O.2CH3.3ClH.Ti/c13-10-4-1-5-11(14)7-3-9-12(15)8-2-6-10;7-6-4-2-1-3-5-6;;;;;;/h10-11H,1-9,13-15H2;1-5,7H;2*1H3;3*1H;/q-1;;2*-1;;;;+3/p-3