bis(2-ethyl-5-fluoranyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis(2-ethyl-5-fluoranyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis(2-ethyl-5-fluoro-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis(2-ethyl-5-fluoro-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis(2-ethyl-5-fluoro-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis(2-ethyl-5-fluoro-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride Formula: C38H36Cl2F2SiZr MolecularWeight: 720.904746

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=C(C=CC2C3=CC=CC=C3)F)[Si](C)(C)C4=C([CH-]C5=C4C(C=CC(=C5)F)C6=CC=CC=C6)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=C(C=CC2C3=CC=CC=C3)F)[Si](C)(C)C4=C([CH-]C5=C4C(C=CC(=C5)F)C6=CC=CC=C6)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C38H36F2Si.2ClH.Zr/c1-5-25-21-29-23-31(39)17-19-33(27-13-9-7-10-14-27)35(29)37(25)41(3,4)38-26(6-2)22-30-24-32(40)18-20-34(36(30)38)28-15-11-8-12-16-28;;;/h7-24,33-34H,5-6H2,1-4H3;2*1H;/q-2;;;+4/p-2