1-methyl-2,6,10-triphenoxy-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride

Systemtic Name: 1-methyl-2,6,10-triphenoxy-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride Openeye Name: 1-methyl-2,6,10-triphenoxy-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride CAS Name: 1-methyl-2,6,10-triphenoxy-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride IUPAC Name: 1-methyl-2,6,10-triphenoxy-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride Traditional Name: 1-methyl-2,6,10-triphenoxy-1,9-diaza-5-azanidacyclododecane; titanium(3+); dichloride Formula: C28H34Cl2N3O3Ti MolecularWeight: 579.36086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(NCCC([N-]CCC1OC2=CC=CC=C2)OC3=CC=CC=C3)OC4=CC=CC=C4.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CN1CCC(NCCC([N-]CCC1OC2=CC=CC=C2)OC3=CC=CC=C3)OC4=CC=CC=C4.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C28H34N3O3.2ClH.Ti/c1-31-22-19-27(33-24-13-7-3-8-14-24)29-20-17-26(32-23-11-5-2-6-12-23)30-21-18-28(31)34-25-15-9-4-10-16-25;;;/h2-16,26-29H,17-22H2,1H3;2*1H;/q-1;;;+3/p-2