benzene; 1H-inden-1-ide; phosphane; zirconium(3+); trichloride

Systemtic Name: benzene; 1H-inden-1-ide; phosphane; zirconium(3+); trichloride Openeye Name: benzene; 1H-inden-1-ide; phosphane; zirconium(3+); trichloride CAS Name: benzene; 1H-inden-1-ide; phosphine; zirconium(3+); trichloride IUPAC Name: benzene; 1H-inden-1-ide; phosphane; zirconium(3+); trichloride Traditional Name: benzene; 1H-inden-1-ide; phosphine; zirconium(3+); trichloride Formula: C63H60Cl3P3Zr3-3 MolecularWeight: 1290.102783

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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.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.P.P.P.[Cl-].[Cl-].[Cl-].[Zr+3].[Zr+3].[Zr+3]

Isomeric SMILES

[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.P.P.P.[Cl-].[Cl-].[Cl-].[Zr+3].[Zr+3].[Zr+3]

InChI

InChI=1S/3C9H7.6C6H5.3ClH.3H3P.3Zr/c3*1-2-5-9-7-3-6-8(9)4-1;6*1-2-4-6-5-3-1;;;;;;;;;/h3*1-7H;6*1-5H;3*1H;3*1H3;;;/q9*-1;;;;;;;3*+3/p-3