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

Systemtic Name: benzene; 1H-inden-1-ide; phosphane; zirconium(3+); dichloride Openeye Name: benzene; 1H-inden-1-ide; phosphane; zirconium(3+); dichloride CAS Name: benzene; 1H-inden-1-ide; phosphine; zirconium(3+); dichloride IUPAC Name: benzene; 1H-inden-1-ide; phosphane; zirconium(3+); dichloride Traditional Name: benzene; 1H-inden-1-ide; phosphine; zirconium(3+); dichloride Formula: C48H44Cl2P2Zr2-2 MolecularWeight: 936.164482

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

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

InChI

InChI=1S/4C9H7.2C6H5.2ClH.2H3P.2Zr/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;;;;;;/h4*1-7H;2*1-5H;2*1H;2*1H3;;/q6*-1;;;;;2*+3/p-2