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

Systemtic Name: 2-ethyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride Openeye Name: 2-ethyl-5-[4-(1-naphthyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride CAS Name: 2-ethyl-5-[4-(1-naphthalenyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride IUPAC Name: 2-ethyl-5-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)furan; zirconium(4+); dichloride Traditional Name: 2-ethyl-5-[4-(1-naphthyl)-1H-inden-1-id-2-yl]furan; zirconium(4+); dichloride Formula: C50H38Cl2O2Zr MolecularWeight: 832.96552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.CCC1=CC=C(O1)C2=CC3=C([CH-]2)C=CC=C3C4=CC=CC5=CC=CC=C54.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C25H19O.2ClH.Zr/c2*1-2-20-13-14-25(26-20)19-15-18-9-6-12-23(24(18)16-19)22-11-5-8-17-7-3-4-10-21(17)22;;;/h2*3-16H,2H2,1H3;2*1H;/q2*-1;;;+4/p-2