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

Systemtic Name: 2,5-ditert-butyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2,5-ditert-butyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2,5-ditert-butyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2,5-ditert-butyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2,5-ditert-butyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; isopropylidenezirconium(2+); dichloride Formula: C90H116Cl2N4Zr2-2 MolecularWeight: 1507.26484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.CC(C)(C)C1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C(C)(C)C.CC(C)(C)C1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C(C)(C)C.CC(C)(C)C1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C(C)(C)C.CC(C)(C)C1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C(C)(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.CC(C)(C)C1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C(C)(C)C.CC(C)(C)C1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C(C)(C)C.CC(C)(C)C1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C(C)(C)C.CC(C)(C)C1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C(C)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/4C21H26N.2C3H6.2ClH.2Zr/c4*1-20(2,3)16-12-15-13-19(21(4,5)6)22(18(15)14-16)17-10-8-7-9-11-17;2*1-3-2;;;;/h4*7-11,13-14,19H,1-6H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2