4-[4-[1,1,2,3,3,4,4,4-octakis(fluoranyl)butan-2-yl]phenoxy]phthalic acid

Systemtic Name: 4-[4-[1,1,2,3,3,4,4,4-octakis(fluoranyl)butan-2-yl]phenoxy]phthalic acid Openeye Name: 4-[4-[1-(difluoromethyl)-1,2,2,3,3,3-hexafluoro-propyl]phenoxy]phthalic acid CAS Name: 4-[4-(1,1,2,3,3,4,4,4-octafluorobutan-2-yl)phenoxy]phthalic acid IUPAC Name: 4-[4-(1,1,2,3,3,4,4,4-octafluorobutan-2-yl)phenoxy]phthalic acid Traditional Name: 4-[4-[1-(difluoromethyl)-1,2,2,3,3,3-hexafluoro-propyl]phenoxy]phthalic acid Formula: C18H10F8O5 MolecularWeight: 458.256226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(F)F)(C(C(F)(F)F)(F)F)F)OC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(C(F)F)(C(C(F)(F)F)(F)F)F)OC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H10F8O5/c19-15(20)16(21,17(22,23)18(24,25)26)8-1-3-9(4-2-8)31-10-5-6-11(13(27)28)12(7-10)14(29)30/h1-7,15H,(H,27,28)(H,29,30)