2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(4+); dichloride

Systemtic Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(4+); dichloride Openeye Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(4+); dichloride CAS Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-phenylfuran; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-phenylfuran; zirconium(4+); dichloride Traditional Name: 2-[4-(4-butylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(4+); dichloride Formula: C58H50Cl2O2Zr MolecularWeight: 941.1464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.CCCCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C29H25O.2ClH.Zr/c2*1-2-3-8-21-13-15-22(16-14-21)26-12-7-11-24-19-25(20-27(24)26)29-18-17-28(30-29)23-9-5-4-6-10-23;;;/h2*4-7,9-20H,2-3,8H2,1H3;2*1H;/q2*-1;;;+4/p-2