dimethyl-bis(7-phenanthren-9-yl-2-propyl-3H-inden-3-id-1-yl)silane; zirconium(4+); dichloride

Systemtic Name: dimethyl-bis(7-phenanthren-9-yl-2-propyl-3H-inden-3-id-1-yl)silane; zirconium(4+); dichloride Openeye Name: dimethyl-bis[7-(9-phenanthryl)-2-propyl-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride CAS Name: dimethyl-bis[7-(9-phenanthrenyl)-2-propyl-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride IUPAC Name: dimethyl-bis(7-phenanthren-9-yl-2-propyl-3H-inden-3-id-1-yl)silane; zirconium(4+); dichloride Traditional Name: dimethyl-bis[7-(9-phenanthryl)-2-propyl-3H-inden-3-id-1-yl]silane; zirconium(4+); dichloride Formula: C54H46Cl2SiZr MolecularWeight: 885.15854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53)[Si](C)(C)C6=C([CH-]C7=C6C(=CC=C7)C8=CC9=CC=CC=C9C1=CC=CC=C18)CCC.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53)[Si](C)(C)C6=C([CH-]C7=C6C(=CC=C7)C8=CC9=CC=CC=C9C1=CC=CC=C18)CCC.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C54H46Si.2ClH.Zr/c1-5-17-39-31-37-21-15-29-47(49-33-35-19-7-9-23-41(35)43-25-11-13-27-45(43)49)51(37)53(39)55(3,4)54-40(18-6-2)32-38-22-16-30-48(52(38)54)50-34-36-20-8-10-24-42(36)44-26-12-14-28-46(44)50;;;/h7-16,19-34H,5-6,17-18H2,1-4H3;2*1H;/q-2;;;+4/p-2