cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; 4-(trifluoromethyl)phenol

Systemtic Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; 4-(trifluoromethyl)phenol Openeye Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenezirconium; 4-(trifluoromethyl)phenol CAS Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; 4-(trifluoromethyl)phenol IUPAC Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; propan-2-ylidenezirconium; 4-(trifluoromethyl)phenol Traditional Name: cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; isopropylidenezirconium; 4-(trifluoromethyl)phenol Formula: C35H30F6O2Zr-2 MolecularWeight: 687.825919

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr])C.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC(=CC=C1C(F)(F)F)O.C1=CC(=CC=C1C(F)(F)F)O

Isomeric SMILES

CC(=[Zr])C.C1C=CC=[C-]1.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC(=CC=C1C(F)(F)F)O.C1=CC(=CC=C1C(F)(F)F)O

InChI

InChI=1S/C13H9.2C7H5F3O.C5H5.C3H6.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*8-7(9,10)5-1-3-6(11)4-2-5;1-2-4-5-3-1;1-3-2;/h1-5,7-8H,9H2;2*1-4,11H;1-3H,4H2;1-2H3;/q-1;;;-1;;