bis[3-butyl-2-ethyl-5,7-di(propan-2-yl)-3H-inden-1-yl]-diphenyl-silane; zirconium(2+)

Systemtic Name: bis[3-butyl-2-ethyl-5,7-di(propan-2-yl)-3H-inden-1-yl]-diphenyl-silane; zirconium(2+) Openeye Name: bis(3-butyl-2-ethyl-5,7-diisopropyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+) CAS Name: bis[3-butyl-2-ethyl-5,7-di(propan-2-yl)-3H-inden-1-yl]-diphenylsilane; zirconium(2+) IUPAC Name: bis[3-butyl-2-ethyl-5,7-di(propan-2-yl)-3H-inden-1-yl]-diphenylsilane; zirconium(2+) Traditional Name: bis(3-butyl-2-ethyl-5,7-diisopropyl-3H-inden-1-yl)-diphenyl-silane; zirconium(2+) Formula: C54H70SiZr MolecularWeight: 838.4431

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C(C=C2C1CCC[CH2-])C(C)C)C(C)C)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=C(C(C6=CC(=CC(=C65)C(C)C)C(C)C)CCC[CH2-])CC.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C=C(C=C2C1CCC[CH2-])C(C)C)C(C)C)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=C(C(C6=CC(=CC(=C65)C(C)C)C(C)C)CCC[CH2-])CC.[Zr+2]

InChI

InChI=1S/C54H70Si.Zr/c1-13-17-29-45-43(15-3)53(51-47(37(9)10)31-39(35(5)6)33-49(45)51)55(41-25-21-19-22-26-41,42-27-23-20-24-28-42)54-44(16-4)46(30-18-14-2)50-34-40(36(7)8)32-48(38(11)12)52(50)54;/h19-28,31-38,45-46H,1-2,13-18,29-30H2,3-12H3;/q-2;+2