1-methyl-2,5,8,11-tetraphenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride

Systemtic Name: 1-methyl-2,5,8,11-tetraphenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Openeye Name: 1-methyl-2,5,8,11-tetraphenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride CAS Name: 1-methyl-2,5,8,11-tetraphenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride IUPAC Name: 1-methyl-2,5,8,11-tetraphenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Traditional Name: 1-methyl-2,5,8,11-tetraphenyl-1,7,10-triaza-4-azanidacyclododecane; titanium(4+); trichloride Formula: C33H37Cl3N4Ti MolecularWeight: 643.89968

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(NCC(NCC([N-]CC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CN1CC(NCC(NCC([N-]CC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C33H37N4.3ClH.Ti/c1-37-25-32(28-18-10-4-11-19-28)35-23-30(26-14-6-2-7-15-26)34-22-31(27-16-8-3-9-17-27)36-24-33(37)29-20-12-5-13-21-29;;;;/h2-21,30-35H,22-25H2,1H3;3*1H;/q-1;;;;+4/p-3