5,8-dimethyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); trichloride

Systemtic Name: 5,8-dimethyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); trichloride Openeye Name: 5,8-dimethyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); trichloride CAS Name: 5,8-dimethyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); trichloride IUPAC Name: 5,8-dimethyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); trichloride Traditional Name: 5,8-dimethyl-1,10-dihydroinden[1,2-b]indol-1-ide; zirconium(2+); trichloride Formula: C51H42Cl3N3Zr3 MolecularWeight: 1076.93028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2CC4=C3C=CC=[C-]4)C.CC1=CC2=C(C=C1)N(C3=C2CC4=C3C=CC=[C-]4)C.CC1=CC2=C(C=C1)N(C3=C2CC4=C3C=CC=[C-]4)C.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2CC4=C3C=CC=[C-]4)C.CC1=CC2=C(C=C1)N(C3=C2CC4=C3C=CC=[C-]4)C.CC1=CC2=C(C=C1)N(C3=C2CC4=C3C=CC=[C-]4)C.[Cl-].[Cl-].[Cl-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C17H14N.3ClH.3Zr/c3*1-11-7-8-16-14(9-11)15-10-12-5-3-4-6-13(12)17(15)18(16)2;;;;;;/h3*3-4,6-9H,10H2,1-2H3;3*1H;;;/q3*-1;;;;3*+2/p-3