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

Systemtic Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(2+) Openeye Name: 2-propyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) CAS Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(2+) IUPAC Name: 2-[4-(4-methylphenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(2+) Traditional Name: 2-propyl-5-[4-(p-tolyl)-1H-inden-1-id-2-yl]furan; zirconium(2+) Formula: C46H42O2Zr MolecularWeight: 718.04848

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

Isomeric SMILES

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

InChI

InChI=1S/2C23H21O.Zr/c2*1-3-5-20-12-13-23(24-20)19-14-18-6-4-7-21(22(18)15-19)17-10-8-16(2)9-11-17;/h2*4,6-15H,3,5H2,1-2H3;/q2*-1;+2