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

Systemtic Name: 5-methyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride Openeye Name: 5-methyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride CAS Name: 5-methyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride IUPAC Name: 5-methyl-6H-indeno[2,1-b]indol-6-ide; zirconium(2+); dichloride Traditional Name: 5-methyl-6H-inden[2,1-b]indol-6-ide; zirconium(2+); dichloride Formula: C64H48Cl2N4Zr2-2 MolecularWeight: 1126.44672

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C3=CC=CC=C3[CH-]2)C4=CC=CC=C41.CN1C2=C(C3=CC=CC=C3[CH-]2)C4=CC=CC=C41.CN1C2=C(C3=CC=CC=C3[CH-]2)C4=CC=CC=C41.CN1C2=C(C3=CC=CC=C3[CH-]2)C4=CC=CC=C41.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CN1C2=C(C3=CC=CC=C3[CH-]2)C4=CC=CC=C41.CN1C2=C(C3=CC=CC=C3[CH-]2)C4=CC=CC=C41.CN1C2=C(C3=CC=CC=C3[CH-]2)C4=CC=CC=C41.CN1C2=C(C3=CC=CC=C3[CH-]2)C4=CC=CC=C41.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C16H12N.2ClH.2Zr/c4*1-17-14-9-5-4-8-13(14)16-12-7-3-2-6-11(12)10-15(16)17;;;;/h4*2-10H,1H3;2*1H;;/q4*-1;;;2*+2/p-2