bis[2-ethyl-7-(4-pentylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride

Systemtic Name: bis[2-ethyl-7-(4-pentylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Openeye Name: bis[2-ethyl-7-(4-pentylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride CAS Name: bis[2-ethyl-7-(4-pentylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride IUPAC Name: bis[2-ethyl-7-(4-pentylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; zirconium(4+); dichloride Traditional Name: bis[7-(4-amylphenyl)-2-ethyl-3H-inden-3-id-1-yl]-dimethyl-silane; zirconium(4+); dichloride Formula: C46H54Cl2SiZr MolecularWeight: 797.13646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C(=C([CH-]3)CC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CCCCC)CC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=CC3=C2C(=C([CH-]3)CC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CCCCC)CC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C46H54Si.2ClH.Zr/c1-7-11-13-17-33-23-27-37(28-24-33)41-21-15-19-39-31-35(9-3)45(43(39)41)47(5,6)46-36(10-4)32-40-20-16-22-42(44(40)46)38-29-25-34(26-30-38)18-14-12-8-2;;;/h15-16,19-32H,7-14,17-18H2,1-6H3;2*1H;/q-2;;;+4/p-2