2-methyl-5-[4-(4-methylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride

Systemtic Name: 2-methyl-5-[4-(4-methylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride Openeye Name: 2-methyl-5-[4-(p-tolyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride CAS Name: 2-methyl-5-[4-(4-methylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride IUPAC Name: 2-methyl-5-[4-(4-methylphenyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride Traditional Name: 2-methyl-5-[4-(p-tolyl)-1,2-dihydroinden-2-id-1-yl]furan; zirconium(4+); dichloride Formula: C42H34Cl2O2Zr MolecularWeight: 732.84816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.CC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.CC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C21H17O.2ClH.Zr/c2*1-14-6-9-16(10-7-14)17-4-3-5-18-19(17)11-12-20(18)21-13-8-15(2)22-21;;;/h2*3-11,13,20H,1-2H3;2*1H;/q2*-1;;;+4/p-2