2,5,6-trimethyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2,5,6-trimethyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2,5,6-trimethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2,5,6-trimethyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2,5,6-trimethyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2,5,6-trimethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C48H52Cl2Zr2-2 MolecularWeight: 882.28048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2[CH-]1)C)C.CC1=CC2=CC(=C(C=C2[CH-]1)C)C.CC1=CC2=CC(=C(C=C2[CH-]1)C)C.CC1=CC2=CC(=C(C=C2[CH-]1)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=CC(=C(C=C2[CH-]1)C)C.CC1=CC2=CC(=C(C=C2[CH-]1)C)C.CC1=CC2=CC(=C(C=C2[CH-]1)C)C.CC1=CC2=CC(=C(C=C2[CH-]1)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C12H13.2ClH.2Zr/c4*1-8-4-11-6-9(2)10(3)7-12(11)5-8;;;;/h4*4-7H,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2