bis[8-(1-benzothiophen-2-yl)-2-methyl-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis[8-(1-benzothiophen-2-yl)-2-methyl-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[8-(benzothiophen-2-yl)-2-methyl-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[8-(1-benzothiophen-2-yl)-2-methyl-3,8-dihydroazulen-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[8-(1-benzothiophen-2-yl)-2-methyl-3,8-dihydroazulen-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[8-(benzothiophen-2-yl)-2-methyl-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C40H34Cl2S2SiZr MolecularWeight: 769.04346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=CC2C3=CC4=CC=CC=C4S3)[Si](C)(C)C5=C([CH-]C6=C5C(C=CC=C6)C7=CC8=CC=CC=C8S7)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=CC2C3=CC4=CC=CC=C4S3)[Si](C)(C)C5=C([CH-]C6=C5C(C=CC=C6)C7=CC8=CC=CC=C8S7)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C40H34S2Si.2ClH.Zr/c1-25-21-29-15-5-9-17-31(35-23-27-13-7-11-19-33(27)41-35)37(29)39(25)43(3,4)40-26(2)22-30-16-6-10-18-32(38(30)40)36-24-28-14-8-12-20-34(28)42-36;;;/h5-24,31-32H,1-4H3;2*1H;/q-2;;;+4/p-2