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

Systemtic Name: 2-(1H-inden-1-id-2-yl)-5-phenyl-furan; zirconium(4+); dichloride Openeye Name: 2-(1H-inden-1-id-2-yl)-5-phenyl-furan; zirconium(4+); dichloride CAS Name: 2-(1H-inden-1-id-2-yl)-5-phenylfuran; zirconium(4+); dichloride IUPAC Name: 2-(1H-inden-1-id-2-yl)-5-phenylfuran; zirconium(4+); dichloride Traditional Name: 2-(1H-inden-1-id-2-yl)-5-phenyl-furan; zirconium(4+); dichloride Formula: C38H26Cl2O2Zr MolecularWeight: 676.74184

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C=C1C3=CC=C(O3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(O3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C=C1C3=CC=C(O3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(O3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/2C19H13O.2ClH.Zr/c2*1-2-6-14(7-3-1)18-10-11-19(20-18)17-12-15-8-4-5-9-16(15)13-17;;;/h2*1-13H;2*1H;/q2*-1;;;+4/p-2