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

Systemtic Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(2+) Openeye Name: 2-phenyl-5-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) CAS Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-phenylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-butan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-phenylfuran; zirconium(2+) Traditional Name: 2-phenyl-5-[4-(4-sec-butylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) Formula: C58H50O2Zr MolecularWeight: 870.2404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.[Zr+2]

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.CCC(C)C1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C5=CC=CC=C5.[Zr+2]

InChI

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