bis(1-butyl-2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-diphenyl-silane; zirconium(2+)

Systemtic Name: bis(1-butyl-2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-diphenyl-silane; zirconium(2+) Openeye Name: bis[1-butyl-2-methyl-3-(1-naphthyl)-1H-inden-4-yl]-diphenyl-silane; zirconium(2+) CAS Name: bis[1-butyl-2-methyl-3-(1-naphthalenyl)-1H-inden-4-yl]-diphenylsilane; zirconium(2+) IUPAC Name: bis(1-butyl-2-methyl-3-naphthalen-1-yl-1H-inden-4-yl)-diphenylsilane; zirconium(2+) Traditional Name: bis[1-butyl-2-methyl-3-(1-naphthyl)-1H-inden-4-yl]-diphenyl-silane; zirconium(2+) Formula: C60H54SiZr MolecularWeight: 894.38026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1CCC[CH2-])C=CC=C2[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC6=C5C(=C(C6CCC[CH2-])C)C7=CC=CC8=CC=CC=C87)C9=CC=CC1=CC=CC=C19.[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C1CCC[CH2-])C=CC=C2[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC6=C5C(=C(C6CCC[CH2-])C)C7=CC=CC8=CC=CC=C87)C9=CC=CC1=CC=CC=C19.[Zr+2]

InChI

InChI=1S/C60H54Si.Zr/c1-5-7-31-47-41(3)57(53-35-19-25-43-23-15-17-33-49(43)53)59-51(47)37-21-39-55(59)61(45-27-11-9-12-28-45,46-29-13-10-14-30-46)56-40-22-38-52-48(32-8-6-2)42(4)58(60(52)56)54-36-20-26-44-24-16-18-34-50(44)54;/h9-30,33-40,47-48H,1-2,5-8,31-32H2,3-4H3;/q-2;+2