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

Systemtic Name: propan-2-ylidenezirconium(2+); 3-propan-2-yl-1H-inden-1-ide; dichloride Openeye Name: isopropylidenezirconium(2+); 3-isopropyl-1H-inden-1-ide; dichloride CAS Name: propan-2-ylidenezirconium(2+); 3-propan-2-yl-1H-inden-1-ide; dichloride IUPAC Name: propan-2-ylidenezirconium(2+); 3-propan-2-yl-1H-inden-1-ide; dichloride Traditional Name: isopropylidenezirconium(2+); 3-isopropyl-1H-inden-1-ide; dichloride Formula: C54H64Cl2Zr2-2 MolecularWeight: 966.43996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(C)C1=C[CH-]C2=CC=CC=C21.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C12H13.2C3H6.2ClH.2Zr/c4*1-9(2)11-8-7-10-5-3-4-6-12(10)11;2*1-3-2;;;;/h4*3-9H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2