2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)-5-propyl-furan; zirconium(4+); dichloride

Systemtic Name: 2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)-5-propyl-furan; zirconium(4+); dichloride Openeye Name: 2-[4-(1-naphthyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(4+); dichloride CAS Name: 2-[4-(1-naphthalenyl)-1H-inden-1-id-2-yl]-5-propylfuran; zirconium(4+); dichloride IUPAC Name: 2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)-5-propylfuran; zirconium(4+); dichloride Traditional Name: 2-[4-(1-naphthyl)-1H-inden-1-id-2-yl]-5-propyl-furan; zirconium(4+); dichloride Formula: C52H42Cl2O2Zr MolecularWeight: 861.01868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CCCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C26H21O.2ClH.Zr/c2*1-2-7-21-14-15-26(27-21)20-16-19-10-6-13-24(25(19)17-20)23-12-5-9-18-8-3-4-11-22(18)23;;;/h2*3-6,8-17H,2,7H2,1H3;2*1H;/q2*-1;;;+4/p-2