2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; titanium(4+); dichloride

Systemtic Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; titanium(4+); dichloride Openeye Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; titanium(4+); dichloride CAS Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethylpyrrole; titanium(4+); dichloride IUPAC Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethylpyrrole; titanium(4+); dichloride Traditional Name: 2-[4-(4-tert-butylphenyl)-1H-inden-1-id-2-yl]-1,5-dimethyl-pyrrole; titanium(4+); dichloride Formula: C50H52Cl2N2Ti MolecularWeight: 799.73428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Ti+4]

Isomeric SMILES

CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.CC1=CC=C(N1C)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)(C)C.[Cl-].[Cl-].[Ti+4]

InChI

InChI=1S/2C25H26N.2ClH.Ti/c2*1-17-9-14-24(26(17)5)20-15-19-7-6-8-22(23(19)16-20)18-10-12-21(13-11-18)25(2,3)4;;;/h2*6-16H,1-5H3;2*1H;/q2*-1;;;+4/p-2