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

Systemtic Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 4-isopropyl-2-methyl-1H-inden-1-ide; dichloride CAS Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-methyl-4-propan-2-yl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 4-isopropyl-2-methyl-1H-inden-1-ide; dichloride Formula: C58H72Cl2Zr2-2 MolecularWeight: 1022.54628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C13H15.2C3H6.2ClH.2Zr/c4*1-9(2)12-6-4-5-11-7-10(3)8-13(11)12;2*1-3-2;;;;/h4*4-9H,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2