5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(4+); dichloride

Systemtic Name: 5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(4+); dichloride Openeye Name: 5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(4+); dichloride CAS Name: 5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(4+); dichloride IUPAC Name: 5-phenyl-6H-indeno[2,1-b]indol-6-ide; zirconium(4+); dichloride Traditional Name: 5-phenyl-6H-inden[2,1-b]indol-6-ide; zirconium(4+); dichloride Formula: C42H28Cl2N2Zr MolecularWeight: 722.81512

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[CH-]1C2=CC=CC=C2C3=C1N(C4=CC=CC=C43)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H14N.2ClH.Zr/c2*1-2-9-16(10-3-1)22-19-13-7-6-12-18(19)21-17-11-5-4-8-15(17)14-20(21)22;;;/h2*1-14H;2*1H;/q2*-1;;;+4/p-2