dimethylsilylidenezirconium(2+); 1-(2-ethyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride

Systemtic Name: dimethylsilylidenezirconium(2+); 1-(2-ethyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride Openeye Name: dimethylsilylidenezirconium(2+); 1-(2-ethyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride CAS Name: dimethylsilylidenezirconium(2+); 1-(2-ethyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); 1-(2-ethyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride Traditional Name: dimethylsilylidenezirconium(2+); 1-(2-ethyl-1H-inden-1-id-4-yl)isobenzothiophene; dichloride Formula: C80H72Cl2S4Si2Zr2-2 MolecularWeight: 1471.21268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CCC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CCC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CCC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CCC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CCC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CCC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C19H15S.2C2H6Si.2ClH.2Zr/c4*1-2-13-10-14-7-5-9-17(18(14)11-13)19-16-8-4-3-6-15(16)12-20-19;2*1-3-2;;;;/h4*3-12H,2H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2