cyclopenta-1,3-diene; 4-(trifluoromethylsulfanyl)phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 4-(trifluoromethylsulfanyl)phenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 4-(trifluoromethylsulfanyl)phenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 4-(trifluoromethylthio)phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 4-(trifluoromethylsulfanyl)phenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 4-(trifluoromethylthio)phenol; zirconium(2+) Formula: C24H20F6O2S2Zr MolecularWeight: 609.758819

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC=C1O)SC(F)(F)F.C1=CC(=CC=C1O)SC(F)(F)F.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC=C1O)SC(F)(F)F.C1=CC(=CC=C1O)SC(F)(F)F.[Zr+2]

InChI

InChI=1S/2C7H5F3OS.2C5H5.Zr/c2*8-7(9,10)12-6-3-1-5(11)2-4-6;2*1-2-4-5-3-1;/h2*1-4,11H;2*1-3H,4H2;/q;;2*-1;+2