4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]phthalic acid

Systemtic Name: 4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]phthalic acid Openeye Name: 4-[1-(3,4-dicarboxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phthalic acid CAS Name: 4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid IUPAC Name: 4-[2-(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phthalic acid Traditional Name: 4-[1-(3,4-dicarboxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phthalic acid Formula: C19H10F6O8 MolecularWeight: 480.268319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H10F6O8/c20-18(21,22)17(19(23,24)25,7-1-3-9(13(26)27)11(5-7)15(30)31)8-2-4-10(14(28)29)12(6-8)16(32)33/h1-6H,(H,26,27)(H,28,29)(H,30,31)(H,32,33)