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

Systemtic Name: 2-methyl-4-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 2-methyl-4-phenyl-1H-inden-1-ide; dichloride CAS Name: 2-methyl-4-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-methyl-4-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 2-methyl-4-phenyl-1H-inden-1-ide; dichloride Formula: C70H64Cl2Zr2-2 MolecularWeight: 1158.61116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C16H13.2C3H6.2ClH.2Zr/c4*1-12-10-14-8-5-9-15(16(14)11-12)13-6-3-2-4-7-13;2*1-3-2;;;;/h4*2-11H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2