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

Systemtic Name: 2-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: isopropylidenezirconium(2+); 2-phenyl-1H-inden-1-ide; dichloride CAS Name: 2-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2-phenyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: isopropylidenezirconium(2+); 2-phenyl-1H-inden-1-ide; dichloride Formula: C66H56Cl2Zr2-2 MolecularWeight: 1102.50484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[CH-]1C2=CC=CC=C2C=C1C3=CC=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/4C15H11.2C3H6.2ClH.2Zr/c4*1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;2*1-3-2;;;;/h4*1-11H;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2