2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; titanium(4+); dichloride

Systemtic Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; titanium(4+); dichloride Openeye Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; titanium(4+); dichloride CAS Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-5-methylpyridine; titanium(4+); dichloride IUPAC Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-5-methylpyridine; titanium(4+); dichloride Traditional Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-5-methyl-pyridine; titanium(4+); dichloride Formula: C50H48Cl2N2Ti MolecularWeight: 795.70252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.CC1=CN=C(C=C1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/2C25H24N.2ClH.Ti/c2*1-17-8-13-24(26-16-17)20-14-19-6-5-7-22(23(19)15-20)18-9-11-21(12-10-18)25(2,3)4;;;/h2*5-16H,1-4H3;2*1H;/q2*-1;;;+4/p-2