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

Systemtic Name: 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); bromide; chloride Openeye Name: 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); bromide; chloride CAS Name: 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); bromide; chloride IUPAC Name: 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); bromide; chloride Traditional Name: 1H-inden-1-ide; phenylmethylbenzene; zirconium(4+); bromide; chloride Formula: C62H50BrClZr2 MolecularWeight: 1092.8654

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Descriptors Computed from Structure

Canonical SMILES:

[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-].[Br-].[Zr+4].[Zr+4]

Isomeric SMILES

[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-].[Br-].[Zr+4].[Zr+4]

InChI

InChI=1S/2C13H11.4C9H7.BrH.ClH.2Zr/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;2*1H;;/q6*-1;;;2*+4/p-2