titanium(4+); 2,6,10-triphenoxy-1,5-diaza-9-azanidacyclododecane; trichloride

Systemtic Name: titanium(4+); 2,6,10-triphenoxy-1,5-diaza-9-azanidacyclododecane; trichloride Openeye Name: titanium(4+); 2,6,10-triphenoxy-1,5-diaza-9-azanidacyclododecane; trichloride CAS Name: titanium(4+); 2,6,10-triphenoxy-1,5-diaza-9-azanidacyclododecane; trichloride IUPAC Name: titanium(4+); 2,6,10-triphenoxy-1,5-diaza-9-azanidacyclododecane; trichloride Traditional Name: titanium(4+); 2,6,10-triphenoxy-1,5-diaza-9-azanidacyclododecane; trichloride Formula: C27H32Cl3N3O3Ti MolecularWeight: 600.78728

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC[N-]C(CCNC1OC2=CC=CC=C2)OC3=CC=CC=C3)OC4=CC=CC=C4.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

C1CNC(CC[N-]C(CCNC1OC2=CC=CC=C2)OC3=CC=CC=C3)OC4=CC=CC=C4.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C27H32N3O3.3ClH.Ti/c1-4-10-22(11-5-1)31-25-16-19-29-27(33-24-14-8-3-9-15-24)18-21-30-26(17-20-28-25)32-23-12-6-2-7-13-23;;;;/h1-15,25-29H,16-21H2;3*1H;/q-1;;;;+4/p-3