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

Systemtic Name: 2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)-5-phenyl-furan; zirconium(4+); dichloride Openeye Name: 2-[4-(1-naphthyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(4+); dichloride CAS Name: 2-[4-(1-naphthalenyl)-1H-inden-1-id-2-yl]-5-phenylfuran; zirconium(4+); dichloride IUPAC Name: 2-(4-naphthalen-1-yl-1H-inden-1-id-2-yl)-5-phenylfuran; zirconium(4+); dichloride Traditional Name: 2-[4-(1-naphthyl)-1H-inden-1-id-2-yl]-5-phenyl-furan; zirconium(4+); dichloride Formula: C58H38Cl2O2Zr MolecularWeight: 929.05112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=C(C=C1C3=CC=C(O3)C4=CC=CC=C4)C(=CC=C2)C5=CC=CC6=CC=CC=C65.[CH-]1C2=C(C=C1C3=CC=C(O3)C4=CC=CC=C4)C(=CC=C2)C5=CC=CC6=CC=CC=C65.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

[CH-]1C2=C(C=C1C3=CC=C(O3)C4=CC=CC=C4)C(=CC=C2)C5=CC=CC6=CC=CC=C65.[CH-]1C2=C(C=C1C3=CC=C(O3)C4=CC=CC=C4)C(=CC=C2)C5=CC=CC6=CC=CC=C65.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C29H19O.2ClH.Zr/c2*1-2-9-21(10-3-1)28-16-17-29(30-28)23-18-22-12-7-15-26(27(22)19-23)25-14-6-11-20-8-4-5-13-24(20)25;;;/h2*1-19H;2*1H;/q2*-1;;;+4/p-2