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

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) Openeye Name: 2-[4-(4-isopropylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) CAS Name: 2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-propan-2-ylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(2+) Traditional Name: 2-(4-p-cumenyl-1H-inden-1-id-2-yl)-5-propyl-furan; zirconium(2+) Formula: C50H50O2Zr MolecularWeight: 774.1548

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Zr+2]

Isomeric SMILES

CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=C(C=C4)C(C)C.[Zr+2]

InChI

InChI=1S/2C25H25O.Zr/c2*1-4-6-22-13-14-25(26-22)21-15-20-7-5-8-23(24(20)16-21)19-11-9-18(10-12-19)17(2)3;/h2*5,7-17H,4,6H2,1-3H3;/q2*-1;+2