4,6-dimethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4,6-dimethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4,6-dimethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4,6-dimethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4,6-dimethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4,6-dimethyl-2-propyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C56H68Cl2Zr2-2 MolecularWeight: 994.49312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCCC1=CC2=C(C=C(C=C2[CH-]1)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCCC1=CC2=C(C=C(C=C2[CH-]1)C)C.CCCC1=CC2=C(C=C(C=C2[CH-]1)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C14H17.2ClH.2Zr/c4*1-4-5-12-8-13-7-10(2)6-11(3)14(13)9-12;;;;/h4*6-9H,4-5H2,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2