2,5-diethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 2,5-diethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2,5-diethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2,5-diethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2,5-diethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2,5-diethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; isopropylidenezirconium(2+); dichloride Formula: C74H84Cl2N4Zr2-2 MolecularWeight: 1282.83956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)CC.CCC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)CC.CCC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)CC.CCC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)CC.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)CC.CCC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)CC.CCC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)CC.CCC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)CC.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C17H18N.2C3H6.2ClH.2Zr/c4*1-3-13-10-14-12-15(4-2)18(17(14)11-13)16-8-6-5-7-9-16;2*1-3-2;;;;/h4*5-9,11-12,15H,3-4H2,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2