1-methyl-2,5,8-triphenoxy-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride

Systemtic Name: 1-methyl-2,5,8-triphenoxy-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride Openeye Name: 1-methyl-2,5,8-triphenoxy-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride CAS Name: 1-methyl-2,5,8-triphenoxy-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride IUPAC Name: 1-methyl-2,5,8-triphenoxy-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride Traditional Name: 1-methyl-2,5,8-triphenoxy-1,7-diaza-4-azanidacyclononane; titanium(3+); dichloride Formula: C25H28Cl2N3O3Ti MolecularWeight: 537.28112

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(NCC([N-]CC1OC2=CC=CC=C2)OC3=CC=CC=C3)OC4=CC=CC=C4.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CN1CC(NCC([N-]CC1OC2=CC=CC=C2)OC3=CC=CC=C3)OC4=CC=CC=C4.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C25H28N3O3.2ClH.Ti/c1-28-19-24(30-21-13-7-3-8-14-21)26-17-23(29-20-11-5-2-6-12-20)27-18-25(28)31-22-15-9-4-10-16-22;;;/h2-16,23-26H,17-19H2,1H3;2*1H;/q-1;;;+3/p-2