2-(7-methyl-4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride

Systemtic Name: 2-(7-methyl-4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride Openeye Name: 2-(7-methyl-4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride CAS Name: 2-(7-methyl-4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride IUPAC Name: 2-(7-methyl-4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride Traditional Name: 2-(7-methyl-4-phenyl-1H-inden-1-id-2-yl)furan; zirconium(2+); dichloride Formula: C80H60Cl2O4Zr2-2 MolecularWeight: 1338.684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4.CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4.CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4.CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4.CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4.CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4.CC1=C2[CH-]C(=CC2=C(C=C1)C3=CC=CC=C3)C4=CC=CO4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C20H15O.2ClH.2Zr/c4*1-14-9-10-17(15-6-3-2-4-7-15)19-13-16(12-18(14)19)20-8-5-11-21-20;;;;/h4*2-13H,1H3;2*1H;;/q4*-1;;;2*+2/p-2