dimethyl-bis[2-methyl-7-(4-methylsulfanylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride

Systemtic Name: dimethyl-bis[2-methyl-7-(4-methylsulfanylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride Openeye Name: dimethyl-bis[2-methyl-7-(4-methylsulfanylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride CAS Name: dimethyl-bis[2-methyl-7-[4-(methylthio)phenyl]-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride IUPAC Name: dimethyl-bis[2-methyl-7-(4-methylsulfanylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride Traditional Name: dimethyl-bis[2-methyl-7-[4-(methylthio)phenyl]-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride Formula: C36H34Cl2S2SiZr MolecularWeight: 721.00066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)SC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)SC)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)SC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)SC)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C36H34S2Si.2ClH.Zr/c1-23-21-27-9-7-11-31(25-13-17-29(37-3)18-14-25)33(27)35(23)39(5,6)36-24(2)22-28-10-8-12-32(34(28)36)26-15-19-30(38-4)20-16-26;;;/h7-22H,1-6H3;2*1H;/q-2;;;+4/p-2