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

Systemtic Name: 3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]phenoxy]phthalic acid Openeye Name: 3-[4-[1-[4-(2,3-dicarboxyphenoxy)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy]phthalic acid CAS Name: 3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phthalic acid IUPAC Name: 3-[4-[2-[4-(2,3-dicarboxyphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phthalic acid Traditional Name: 3-[4-[1-[4-(2,3-dicarboxyphenoxy)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy]phthalic acid Formula: C31H18F6O10 MolecularWeight: 664.459039

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)OC4=CC=CC(=C4C(=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(=C1)OC2=CC=C(C=C2)C(C3=CC=C(C=C3)OC4=CC=CC(=C4C(=O)O)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O)C(=O)O

InChI

InChI=1S/C31H18F6O10/c32-30(33,34)29(31(35,36)37,15-7-11-17(12-8-15)46-21-5-1-3-19(25(38)39)23(21)27(42)43)16-9-13-18(14-10-16)47-22-6-2-4-20(26(40)41)24(22)28(44)45/h1-14H,(H,38,39)(H,40,41)(H,42,43)(H,44,45)