1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride

Systemtic Name: 1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride Openeye Name: 1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride CAS Name: 1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride IUPAC Name: 1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride Traditional Name: 1,4-diaza-7-azanidacyclononane; phenol; titanium(3+); dichloride Formula: C12H20Cl2N3OTi MolecularWeight: 341.0797

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[N-]CCN1.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C1CNCC[N-]CCN1.C1=CC=C(C=C1)O.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C6H14N3.C6H6O.2ClH.Ti/c1-2-8-5-6-9-4-3-7-1;7-6-4-2-1-3-5-6;;;/h7-8H,1-6H2;1-5,7H;2*1H;/q-1;;;;+3/p-2