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

Systemtic Name: 3-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 4-isopropyl-3-methyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 3-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 3-methyl-4-propan-2-yl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 4-isopropyl-3-methyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C52H60Cl2Zr2-2 MolecularWeight: 938.3868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[CH-]C2=C1C(=CC=C2)C(C)C.CC1=C[CH-]C2=C1C(=CC=C2)C(C)C.CC1=C[CH-]C2=C1C(=CC=C2)C(C)C.CC1=C[CH-]C2=C1C(=CC=C2)C(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C[CH-]C2=C1C(=CC=C2)C(C)C.CC1=C[CH-]C2=C1C(=CC=C2)C(C)C.CC1=C[CH-]C2=C1C(=CC=C2)C(C)C.CC1=C[CH-]C2=C1C(=CC=C2)C(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C13H15.2ClH.2Zr/c4*1-9(2)12-6-4-5-11-8-7-10(3)13(11)12;;;;/h4*4-9H,1-3H3;2*1H;;/q4*-1;;;2*+2/p-2