4-[4-[1,1,2,3,3,4,4,5,5,6,6,6-dodecakis(fluoranyl)hexan-2-yl]phenoxy]carbonylphthalic acid

Systemtic Name: 4-[4-[1,1,2,3,3,4,4,5,5,6,6,6-dodecakis(fluoranyl)hexan-2-yl]phenoxy]carbonylphthalic acid Openeye Name: 4-[4-[1-(difluoromethyl)-1,2,2,3,3,4,4,5,5,5-decafluoro-pentyl]phenoxy]carbonylphthalic acid CAS Name: 4-[[4-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexan-2-yl)phenoxy]-oxomethyl]phthalic acid IUPAC Name: 4-[4-(1,1,2,3,3,4,4,5,5,6,6,6-dodecafluorohexan-2-yl)phenoxy]carbonylphthalic acid Traditional Name: 4-[4-[1-(difluoromethyl)-1,2,2,3,3,4,4,5,5,5-decafluoro-pentyl]phenoxy]carbonylphthalic acid Formula: C21H10F12O6 MolecularWeight: 586.281338

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H10F12O6/c22-16(23)17(24,18(25,26)19(27,28)20(29,30)21(31,32)33)9-2-4-10(5-3-9)39-15(38)8-1-6-11(13(34)35)12(7-8)14(36)37/h1-7,16H,(H,34,35)(H,36,37)