carbanide; cyclononane-1,4,7-triamine; phenol; titanium(3+); trichloride

Systemtic Name: carbanide; cyclononane-1,4,7-triamine; phenol; titanium(3+); trichloride Openeye Name: carbanide; cyclononane-1,4,7-triamine; phenol; titanium(3+); trichloride CAS Name: carbanide; cyclononane-1,4,7-triamine; phenol; titanium(3+); trichloride IUPAC Name: carbanide; cyclononane-1,4,7-triamine; phenol; titanium(3+); trichloride Traditional Name: carbanide; (4,7-diaminocyclononyl)amine; phenol; titanium(3+); trichloride Formula: C17H32Cl3N3OTi-3 MolecularWeight: 448.68148

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].C1CC(CC[C-](CCC1N)N)N.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

[CH3-].[CH3-].C1CC(CC[C-](CCC1N)N)N.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C9H20N3.C6H6O.2CH3.3ClH.Ti/c10-7-1-2-8(11)5-6-9(12)4-3-7;7-6-4-2-1-3-5-6;;;;;;/h7-8H,1-6,10-12H2;1-5,7H;2*1H3;3*1H;/q-1;;2*-1;;;;+3/p-3