2-butyl-3-[2-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride

Systemtic Name: 2-butyl-3-[2-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Openeye Name: 2-butyl-3-[2-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride CAS Name: 2-butyl-3-[2-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride IUPAC Name: 2-butyl-3-[2-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Traditional Name: 2-butyl-3-[2-(2-butyl-7-phenyl-3H-inden-3-id-1-yl)ethyl]-4-phenyl-1H-inden-1-ide; zirconium(4+); dichloride Formula: C40H40Cl2Zr MolecularWeight: 682.8756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCC4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)CCCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC=C3)CCC4=C([CH-]C5=C4C(=CC=C5)C6=CC=CC=C6)CCCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C40H40.2ClH.Zr/c1-3-5-15-31-27-33-21-13-23-35(29-17-9-7-10-18-29)39(33)37(31)25-26-38-32(16-6-4-2)28-34-22-14-24-36(40(34)38)30-19-11-8-12-20-30;;;/h7-14,17-24,27-28H,3-6,15-16,25-26H2,1-2H3;2*1H;/q-2;;;+4/p-2