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

Systemtic Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-methyl-furan; zirconium(4+); dichloride Openeye Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-methyl-furan; zirconium(4+); dichloride CAS Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran; zirconium(4+); dichloride IUPAC Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-methylfuran; zirconium(4+); dichloride Traditional Name: 2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]-5-methyl-furan; zirconium(4+); dichloride Formula: C44H38Cl2O2Zr MolecularWeight: 760.90132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C.CCC1=CC=C(C=C1)C2=CC=CC3=C2C=C([CH-]3)C4=CC=C(O4)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C22H19O.2ClH.Zr/c2*1-3-16-8-10-17(11-9-16)20-6-4-5-18-13-19(14-21(18)20)22-12-7-15(2)23-22;;;/h2*4-14H,3H2,1-2H3;2*1H;/q2*-1;;;+4/p-2