1-methyl-2,6,10,14-tetraphenyl-1,9,13-triaza-5-azanidacyclohexadecane; titanium(4+); trichloride

Systemtic Name: 1-methyl-2,6,10,14-tetraphenyl-1,9,13-triaza-5-azanidacyclohexadecane; titanium(4+); trichloride Openeye Name: 1-methyl-2,6,10,14-tetraphenyl-1,9,13-triaza-5-azanidacyclohexadecane; titanium(4+); trichloride CAS Name: 1-methyl-2,6,10,14-tetraphenyl-1,9,13-triaza-5-azanidacyclohexadecane; titanium(4+); trichloride IUPAC Name: 1-methyl-2,6,10,14-tetraphenyl-1,9,13-triaza-5-azanidacyclohexadecane; titanium(4+); trichloride Traditional Name: 1-methyl-2,6,10,14-tetraphenyl-1,9,13-triaza-5-azanidacyclohexadecane; titanium(4+); trichloride Formula: C37H45Cl3N4Ti MolecularWeight: 700.006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(NCCC(NCCC([N-]CCC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-].[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CN1CCC(NCCC(NCCC([N-]CCC1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-].[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/C37H45N4.3ClH.Ti/c1-41-29-25-36(32-18-10-4-11-19-32)39-27-23-34(30-14-6-2-7-15-30)38-26-22-35(31-16-8-3-9-17-31)40-28-24-37(41)33-20-12-5-13-21-33;;;;/h2-21,34-39H,22-29H2,1H3;3*1H;/q-1;;;;+4/p-3