hydride; 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); chloride

Systemtic Name: hydride; 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); chloride Openeye Name: hydride; 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); chloride CAS Name: hydride; 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); chloride IUPAC Name: hydride; 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); chloride Traditional Name: hydride; 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); chloride Formula: C62H51ClZr2 MolecularWeight: 1013.96934

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Descriptors Computed from Structure

Canonical SMILES:

[H-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Cl-].[Zr+4].[Zr+4]

Isomeric SMILES

[H-].[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.C1=CC=C(C=C1)[CH-]C2=CC=CC=C2.[Cl-].[Zr+4].[Zr+4]

InChI

InChI=1S/2C13H11.4C9H7.ClH.2Zr.H/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;4*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*1-11H;4*1-7H;1H;;;/q6*-1;;2*+4;-1/p-1