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

Systemtic Name: dimethylsilylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride Openeye Name: dimethylsilylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride CAS Name: dimethylsilylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)-2-benzothiophene; dichloride Traditional Name: dimethylsilylidenezirconium(2+); 1-(2-methyl-1H-inden-1-id-4-yl)isobenzothiophene; dichloride Formula: C76H64Cl2S4Si2Zr2-2 MolecularWeight: 1415.10636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CC1=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

CC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CC1=CC2=C([CH-]1)C=CC=C2C3=C4C=CC=CC4=CS3.CC1=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/4C18H13S.2C2H6Si.2ClH.2Zr/c4*1-12-9-13-6-4-8-16(17(13)10-12)18-15-7-3-2-5-14(15)11-19-18;2*1-3-2;;;;/h4*2-11H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2