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

Systemtic Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-furan; zirconium(2+) Openeye Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-furan; zirconium(2+) CAS Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methylfuran; zirconium(2+) Traditional Name: 2-[4-(4-ethylphenyl)-1,2-dihydroinden-2-id-1-yl]-5-methyl-furan; zirconium(2+) Formula: C44H38O2Zr MolecularWeight: 689.99532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.[Zr+2]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.CCC1=CC=C(C=C1)C2=C3C=[C-]C(C3=CC=C2)C4=CC=C(O4)C.[Zr+2]

InChI

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