3-tert-butyl-8,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); trichloride

Systemtic Name: 3-tert-butyl-8,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); trichloride Openeye Name: 3-tert-butyl-8,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); trichloride CAS Name: 3-tert-butyl-8,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); trichloride IUPAC Name: 3-tert-butyl-8,10-dimethyl-1H-indeno[1,2-b]indol-1-ide; zirconium(2+); trichloride Traditional Name: 3-tert-butyl-8,10-dimethyl-1H-inden[1,2-b]indol-1-ide; zirconium(2+); trichloride Formula: C63H60Cl3N3Zr3 MolecularWeight: 1239.2016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C3C2=C(C4=C3C=C(C=[C-]4)C(C)(C)C)C.CC1=CC2=C(C=C1)N=C3C2=C(C4=C3C=C(C=[C-]4)C(C)(C)C)C.CC1=CC2=C(C=C1)N=C3C2=C(C4=C3C=C(C=[C-]4)C(C)(C)C)C.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C3C2=C(C4=C3C=C(C=[C-]4)C(C)(C)C)C.CC1=CC2=C(C=C1)N=C3C2=C(C4=C3C=C(C=[C-]4)C(C)(C)C)C.CC1=CC2=C(C=C1)N=C3C2=C(C4=C3C=C(C=[C-]4)C(C)(C)C)C.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C21H20N.3ClH.3Zr/c3*1-12-6-9-18-17(10-12)19-13(2)15-8-7-14(21(3,4)5)11-16(15)20(19)22-18;;;;;;/h3*6-7,9-11H,1-5H3;3*1H;;;/q3*-1;;;;3*+2/p-3