methyl-bis(2-methyl-7-quinolin-8-yl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); dichloride

Systemtic Name: methyl-bis(2-methyl-7-quinolin-8-yl-3H-inden-3-id-1-yl)-phenyl-silane; zirconium(4+); dichloride Openeye Name: methyl-bis[2-methyl-7-(8-quinolyl)-3H-inden-3-id-1-yl]-phenyl-silane; zirconium(4+); dichloride CAS Name: methyl-bis[2-methyl-7-(8-quinolinyl)-3H-inden-3-id-1-yl]-phenylsilane; zirconium(4+); dichloride IUPAC Name: methyl-bis(2-methyl-7-quinolin-8-yl-3H-inden-3-id-1-yl)-phenylsilane; zirconium(4+); dichloride Traditional Name: methyl-bis[2-methyl-7-(8-quinolyl)-3H-inden-3-id-1-yl]-phenyl-silane; zirconium(4+); dichloride Formula: C45H34Cl2N2SiZr MolecularWeight: 792.98036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4)[Si](C)(C5=CC=CC=C5)C6=C([CH-]C7=C6C(=CC=C7)C8=CC=CC9=C8N=CC=C9)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC4=C3N=CC=C4)[Si](C)(C5=CC=CC=C5)C6=C([CH-]C7=C6C(=CC=C7)C8=CC=CC9=C8N=CC=C9)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C45H34N2Si.2ClH.Zr/c1-29-27-33-15-9-21-36(38-23-7-13-31-17-11-25-46-42(31)38)40(33)44(29)48(3,35-19-5-4-6-20-35)45-30(2)28-34-16-10-22-37(41(34)45)39-24-8-14-32-18-12-26-47-43(32)39;;;/h4-28H,1-3H3;2*1H;/q-2;;;+4/p-2