bis(3-butyl-2-methyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenyl-silane; zirconium(2+)

Systemtic Name: bis(3-butyl-2-methyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenyl-silane; zirconium(2+) Openeye Name: bis(3-butyl-2-methyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenyl-silane; zirconium(2+) CAS Name: bis(3-butyl-2-methyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane; zirconium(2+) IUPAC Name: bis(3-butyl-2-methyl-3H-cyclopenta[a]naphthalen-1-yl)-diphenylsilane; zirconium(2+) Traditional Name: bis(3-butyl-2-methyl-3H-benz[e]inden-1-yl)-diphenyl-silane; zirconium(2+) Formula: C48H46SiZr MolecularWeight: 742.18834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1CCC[CH2-])C=CC3=CC=CC=C32)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=C(C(C7=C6C8=CC=CC=C8C=C7)CCC[CH2-])C.[Zr+2]

Isomeric SMILES

CC1=C(C2=C(C1CCC[CH2-])C=CC3=CC=CC=C32)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=C(C(C7=C6C8=CC=CC=C8C=C7)CCC[CH2-])C.[Zr+2]

InChI

InChI=1S/C48H46Si.Zr/c1-5-7-25-39-33(3)47(45-41-27-17-15-19-35(41)29-31-43(39)45)49(37-21-11-9-12-22-37,38-23-13-10-14-24-38)48-34(4)40(26-8-6-2)44-32-30-36-20-16-18-28-42(36)46(44)48;/h9-24,27-32,39-40H,1-2,5-8,25-26H2,3-4H3;/q-2;+2