2-chloranyl-5-phenyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-chloranyl-5-phenyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); dichloride Openeye Name: 2-chloro-5-phenyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); dichloride CAS Name: 2-chloro-5-phenyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); dichloride IUPAC Name: 2-chloro-5-phenyl-1,10-dihydroindeno[1,2-b]indol-1-ide; zirconium(2+); dichloride Traditional Name: 2-chloro-5-phenyl-1,10-dihydroinden[1,2-b]indol-1-ide; zirconium(2+); dichloride Formula: C84H52Cl6N4Zr2-2 MolecularWeight: 1512.50448

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=[C-]C(=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5)Cl.C1C2=[C-]C(=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5)Cl.C1C2=[C-]C(=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5)Cl.C1C2=[C-]C(=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5)Cl.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C1C2=[C-]C(=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5)Cl.C1C2=[C-]C(=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5)Cl.C1C2=[C-]C(=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5)Cl.C1C2=[C-]C(=CC=C2C3=C1C4=CC=CC=C4N3C5=CC=CC=C5)Cl.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C21H13ClN.2ClH.2Zr/c4*22-15-10-11-17-14(12-15)13-19-18-8-4-5-9-20(18)23(21(17)19)16-6-2-1-3-7-16;;;;/h4*1-11H,13H2;2*1H;;/q4*-1;;;2*+2/p-2