(diphenylmethyl)-bis(2-methyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)silicon; zirconium(4+); dichloride

Systemtic Name: (diphenylmethyl)-bis(2-methyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)silicon; zirconium(4+); dichloride Openeye Name: benzhydryl-bis(2-methyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)silicon; zirconium(4+); dichloride CAS Name: (diphenylmethyl)-bis(2-methyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)silicon; zirconium(4+); dichloride IUPAC Name: benzhydryl-bis(2-methyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)silicon; zirconium(4+); dichloride Traditional Name: benzhydryl-bis(2-methyl-8-phenyl-3,8-dihydroazulen-3-id-1-yl)silicon; zirconium(4+); dichloride Formula: C47H39Cl2SiZr MolecularWeight: 794.02806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=CC2C3=CC=CC=C3)[Si](C4=C([CH-]C5=C4C(C=CC=C5)C6=CC=CC=C6)C)C(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=CC2C3=CC=CC=C3)[Si](C4=C([CH-]C5=C4C(C=CC=C5)C6=CC=CC=C6)C)C(C7=CC=CC=C7)C8=CC=CC=C8.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C47H39Si.2ClH.Zr/c1-33-31-39-27-15-17-29-41(35-19-7-3-8-20-35)43(39)45(33)48(47(37-23-11-5-12-24-37)38-25-13-6-14-26-38)46-34(2)32-40-28-16-18-30-42(44(40)46)36-21-9-4-10-22-36;;;/h3-32,41-42,47H,1-2H3;2*1H;/q-2;;;+4/p-2