2-ethyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride

Systemtic Name: 2-ethyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-[4-(4-isopropylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride CAS Name: 2-ethyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-(4-p-cumenyl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride Formula: C48H46Cl2O2Zr MolecularWeight: 817.00764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C24H23O.2ClH.Zr/c2*1-4-21-12-13-24(25-21)20-14-19-6-5-7-22(23(19)15-20)18-10-8-17(9-11-18)16(2)3;;;/h2*5-16H,4H2,1-3H3;2*1H;/q2*-1;;;+4/p-2