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

Systemtic Name: 2-(4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride Openeye Name: 2-(4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride CAS Name: 2-(4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride IUPAC Name: 2-(4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride Traditional Name: 2-(4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride Formula: C76H52Cl2O4Zr2-2 MolecularWeight: 1282.57768

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC=C4.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC=C4.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC=C4.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC=C4.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC=C4.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC=C4.[CH-]1C2=C(C=C1C3=CC=CO3)C(=CC=C2)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H13O.2ClH.2Zr/c4*1-2-6-14(7-3-1)17-9-4-8-15-12-16(13-18(15)17)19-10-5-11-20-19;;;;/h4*1-13H;2*1H;;/q4*-1;;;2*+2/p-2