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

Systemtic Name: 2-(2-methyl-1H-inden-1-id-4-yl)furan; zirconium(2+); dichloride Openeye Name: 2-(2-methyl-1H-inden-1-id-4-yl)furan; zirconium(2+); dichloride CAS Name: 2-(2-methyl-1H-inden-1-id-4-yl)furan; zirconium(2+); dichloride IUPAC Name: 2-(2-methyl-1H-inden-1-id-4-yl)furan; zirconium(2+); dichloride Traditional Name: 2-(2-methyl-1H-inden-1-id-4-yl)furan; zirconium(2+); dichloride Formula: C56H44Cl2O4Zr2-2 MolecularWeight: 1034.30016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CO3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CO3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CO3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CO3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CO3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CO3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CO3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CO3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C14H11O.2ClH.2Zr/c4*1-10-8-11-4-2-5-12(13(11)9-10)14-6-3-7-15-14;;;;/h4*2-9H,1H3;2*1H;;/q4*-1;;;2*+2/p-2