2,4,5,6,7-pentamethyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2,4,5,6,7-pentamethyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2,4,5,6,7-pentamethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2,4,5,6,7-pentamethyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2,4,5,6,7-pentamethyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2,4,5,6,7-pentamethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C56H68Cl2Zr2-2 MolecularWeight: 994.49312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.CC1=CC2=C([CH-]1)C(=C(C(=C2C)C)C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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