3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 3-methyl-1H-inden-1-ide; dichloride CAS Name: 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 3-methyl-1H-inden-1-ide; dichloride Formula: C46H48Cl2Zr2-2 MolecularWeight: 854.22732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC1=C[CH-]C2=CC=CC=C12.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C10H9.2C3H6.2ClH.2Zr/c4*1-8-6-7-9-4-2-3-5-10(8)9;2*1-3-2;;;;/h4*2-7H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2