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

Systemtic Name: bis[2-(2-ethylphenyl)-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-(2-ethylphenyl)-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-(2-ethylphenyl)-3,8-dihydroazulen-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[2-(2-ethylphenyl)-3,8-dihydroazulen-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[2-(2-ethylphenyl)-3,8-dihydroazulen-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C38H38Cl2SiZr MolecularWeight: 684.92382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=C(C3=C([CH-]2)C=CC=CC3)[Si](C)(C)C4=C([CH-]C5=C4CC=CC=C5)C6=CC=CC=C6CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC=CC=C1C2=C(C3=C([CH-]2)C=CC=CC3)[Si](C)(C)C4=C([CH-]C5=C4CC=CC=C5)C6=CC=CC=C6CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C38H38Si.2ClH.Zr/c1-5-27-17-13-15-21-31(27)35-25-29-19-9-7-11-23-33(29)37(35)39(3,4)38-34-24-12-8-10-20-30(34)26-36(38)32-22-16-14-18-28(32)6-2;;;/h7-22,25-26H,5-6,23-24H2,1-4H3;2*1H;/q-2;;;+4/p-2