2-[3-methyl-2-[2-[5-methyl-2-[2-oxidanyl-5-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,3-dien-1-yl]-4-(trifluoromethyl)phenol; zirconium

Systemtic Name: 2-[3-methyl-2-[2-[5-methyl-2-[2-oxidanyl-5-(trifluoromethyl)phenyl]cyclopenta-1,4-dien-1-yl]ethyl]cyclopenta-1,3-dien-1-yl]-4-(trifluoromethyl)phenol; zirconium Openeye Name: 2-[2-[2-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-methyl-cyclopenta-1,4-dien-1-yl]ethyl]-3-methyl-cyclopenta-1,3-dien-1-yl]-4-(trifluoromethyl)phenol; zirconium CAS Name: 2-[2-[2-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-methyl-1-cyclopenta-1,4-dienyl]ethyl]-3-methyl-1-cyclopenta-1,3-dienyl]-4-(trifluoromethyl)phenol; zirconium IUPAC Name: 2-[2-[2-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-methylcyclopenta-1,4-dien-1-yl]ethyl]-3-methylcyclopenta-1,3-dien-1-yl]-4-(trifluoromethyl)phenol; zirconium Traditional Name: 2-[2-[2-[2-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-methyl-cyclopenta-1,4-dien-1-yl]ethyl]-3-methyl-cyclopenta-1,3-dien-1-yl]-4-(trifluoromethyl)phenol; zirconium Formula: C28H24F6O2Zr MolecularWeight: 597.703379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=C1CCC2=C(CC=C2C)C3=C(C=CC(=C3)C(F)(F)F)O)C4=C(C=CC(=C4)C(F)(F)F)O.[Zr]

Isomeric SMILES

CC1=CCC(=C1CCC2=C(CC=C2C)C3=C(C=CC(=C3)C(F)(F)F)O)C4=C(C=CC(=C4)C(F)(F)F)O.[Zr]

InChI

InChI=1S/C28H24F6O2.Zr/c1-15-3-7-21(23-13-17(27(29,30)31)5-11-25(23)35)19(15)9-10-20-16(2)4-8-22(20)24-14-18(28(32,33)34)6-12-26(24)36;/h3-6,11-14,35-36H,7-10H2,1-2H3;