1H-inden-1-ide; propan-2-ylidenezirconium; 4-(trifluoromethyl)phenol

Systemtic Name: 1H-inden-1-ide; propan-2-ylidenezirconium; 4-(trifluoromethyl)phenol Openeye Name: 1H-inden-1-ide; isopropylidenezirconium; 4-(trifluoromethyl)phenol CAS Name: 1H-inden-1-ide; propan-2-ylidenezirconium; 4-(trifluoromethyl)phenol IUPAC Name: 1H-inden-1-ide; propan-2-ylidenezirconium; 4-(trifluoromethyl)phenol Traditional Name: 1H-inden-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.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC(=CC=C1C(F)(F)F)O.C1=CC(=CC=C1C(F)(F)F)O

Isomeric SMILES

CC(=[Zr])C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.C1=CC(=CC=C1C(F)(F)F)O.C1=CC(=CC=C1C(F)(F)F)O

InChI

InChI=1S/2C9H7.2C7H5F3O.C3H6.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*8-7(9,10)5-1-3-6(11)4-2-5;1-3-2;/h2*1-7H;2*1-4,11H;1-2H3;/q2*-1;;;;