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

Systemtic Name: bis(2-ethyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis(2-ethyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis(2-ethyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis(2-ethyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis(2-ethyl-8-phenyl-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=C(C2=C([CH-]1)C=CC=CC2C3=CC=CC=C3)[Si](C)(C)C4=C([CH-]C5=C4C(C=CC=C5)C6=CC=CC=C6)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

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

InChI

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