4-[4-[1,1,1,2,3,3-hexakis(fluoranyl)propan-2-yl]phenoxy]carbonylphthalic acid

Systemtic Name: 4-[4-[1,1,1,2,3,3-hexakis(fluoranyl)propan-2-yl]phenoxy]carbonylphthalic acid Openeye Name: 4-[4-[1-(difluoromethyl)-1,2,2,2-tetrafluoro-ethyl]phenoxy]carbonylphthalic acid CAS Name: 4-[[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]-oxomethyl]phthalic acid IUPAC Name: 4-[4-(1,1,1,2,3,3-hexafluoropropan-2-yl)phenoxy]carbonylphthalic acid Traditional Name: 4-[4-[1-(difluoromethyl)-1,2,2,2-tetrafluoro-ethyl]phenoxy]carbonylphthalic acid Formula: C18H10F6O6 MolecularWeight: 436.258819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(F)F)(C(F)(F)F)F)OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(C(F)F)(C(F)(F)F)F)OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H10F6O6/c19-16(20)17(21,18(22,23)24)9-2-4-10(5-3-9)30-15(29)8-1-6-11(13(25)26)12(7-8)14(27)28/h1-7,16H,(H,25,26)(H,27,28)