benzene; carbanide; cyclononane-1,4,7-triamine; titanium(4+); trichloride

Systemtic Name: benzene; carbanide; cyclononane-1,4,7-triamine; titanium(4+); trichloride Openeye Name: benzene; carbanide; cyclononane-1,4,7-triamine; titanium(4+); trichloride CAS Name: benzene; carbanide; cyclononane-1,4,7-triamine; titanium(4+); trichloride IUPAC Name: benzene; carbanide; cyclononane-1,4,7-triamine; titanium(4+); trichloride Traditional Name: benzene; carbanide; (4,7-diaminocyclononyl)amine; titanium(4+); trichloride Formula: C17H31Cl3N3Ti-3 MolecularWeight: 431.67414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20N3.C6H5.2CH3.3ClH.Ti/c10-7-1-2-8(11)5-6-9(12)4-3-7;1-2-4-6-5-3-1;;;;;;/h7-8H,1-6,10-12H2;1-5H;2*1H3;3*1H;/q4*-1;;;;+4/p-3