2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4,6-diisopropyl-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4,6-diisopropyl-2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C64H84Cl2Zr2-2 MolecularWeight: 1106.70576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C16H21.2ClH.2Zr/c4*1-10(2)13-8-14-6-12(5)7-16(14)15(9-13)11(3)4;;;;/h4*6-11H,1-5H3;2*1H;;/q4*-1;;;2*+2/p-2