cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenezirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenezirconium(2+); dichloride Formula: C42H40Cl2Zr2-2 MolecularWeight: 798.121

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.C1C=CC=[C-]1.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.[Cl-].[Cl-]

InChI

InChI=1S/2C13H9.2C5H5.2C3H6.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-4-5-3-1;2*1-3-2;;;;/h2*1-5,7-8H,9H2;2*1-3H,4H2;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2