1-ethyl-1,2,4,5,6,7-hexahydroinden-2-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 1-ethyl-1,2,4,5,6,7-hexahydroinden-2-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 1-ethyl-1,2,4,5,6,7-hexahydroinden-2-ide; isopropylidenezirconium(2+); dichloride CAS Name: 1-ethyl-1,2,4,5,6,7-hexahydroinden-2-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 1-ethyl-1,2,4,5,6,7-hexahydroinden-2-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 1-ethyl-1,2,4,5,6,7-hexahydroinden-2-ide; isopropylidenezirconium(2+); dichloride Formula: C50H72Cl2Zr2-2 MolecularWeight: 926.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1[C-]=CC2=C1CCCC2.CCC1[C-]=CC2=C1CCCC2.CCC1[C-]=CC2=C1CCCC2.CCC1[C-]=CC2=C1CCCC2.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1[C-]=CC2=C1CCCC2.CCC1[C-]=CC2=C1CCCC2.CCC1[C-]=CC2=C1CCCC2.CCC1[C-]=CC2=C1CCCC2.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C11H15.2C3H6.2ClH.2Zr/c4*1-2-9-7-8-10-5-3-4-6-11(9)10;2*1-3-2;;;;/h4*8-9H,2-6H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2