4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4,7-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C44H44Cl2Zr2-2 MolecularWeight: 826.17416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C11H11.2ClH.2Zr/c4*1-8-6-7-9(2)11-5-3-4-10(8)11;;;;/h4*3-7H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2