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

Systemtic Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; isopropylidenezirconium(2+); dichloride CAS Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 2,5-dimethyl-1-phenyl-2,4-dihydrocyclopenta[b]pyrrol-4-ide; isopropylidenezirconium(2+); dichloride Formula: C66H68Cl2N4Zr2-2 MolecularWeight: 1170.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C.CC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C.CC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C.CC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C.CC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C.CC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C.CC1C=C2[C-]=C(C=C2N1C3=CC=CC=C3)C.CC(=[Zr+2])C.CC(=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C15H14N.2C3H6.2ClH.2Zr/c4*1-11-8-13-10-12(2)16(15(13)9-11)14-6-4-3-5-7-14;2*1-3-2;;;;/h4*3-7,9-10,12H,1-2H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2