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

Systemtic Name: bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-methyl-phenyl-silane; zirconium(2+) Openeye Name: bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-methyl-phenyl-silane; zirconium(2+) CAS Name: bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane; zirconium(2+) IUPAC Name: bis(3-butyl-2-ethyl-3H-cyclopenta[a]naphthalen-1-yl)-methyl-phenylsilane; zirconium(2+) Traditional Name: bis(3-butyl-2-ethyl-3H-benz[e]inden-1-yl)-methyl-phenyl-silane; zirconium(2+) Formula: C45H48SiZr MolecularWeight: 708.17212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C1CCC[CH2-])C=CC3=CC=CC=C32)[Si](C)(C4=CC=CC=C4)C5=C(C(C6=C5C7=CC=CC=C7C=C6)CCC[CH2-])CC.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C1CCC[CH2-])C=CC3=CC=CC=C32)[Si](C)(C4=CC=CC=C4)C5=C(C(C6=C5C7=CC=CC=C7C=C6)CCC[CH2-])CC.[Zr+2]

InChI

InChI=1S/C45H48Si.Zr/c1-6-10-23-38-34(8-3)44(42-36-25-17-15-19-31(36)27-29-40(38)42)46(5,33-21-13-12-14-22-33)45-35(9-4)39(24-11-7-2)41-30-28-32-20-16-18-26-37(32)43(41)45;/h12-22,25-30,38-39H,1-2,6-11,23-24H2,3-5H3;/q-2;+2