4-[4-[2-[3,5-bis(bromanyl)-4-(3,4-dicarboxyphenoxy)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2,6-bis(bromanyl)phenoxy]phthalic acid

Systemtic Name: 4-[4-[2-[3,5-bis(bromanyl)-4-(3,4-dicarboxyphenoxy)phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2,6-bis(bromanyl)phenoxy]phthalic acid Openeye Name: 4-[2,6-dibromo-4-[1-[3,5-dibromo-4-(3,4-dicarboxyphenoxy)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy]phthalic acid CAS Name: 4-[2,6-dibromo-4-[2-[3,5-dibromo-4-(3,4-dicarboxyphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phthalic acid IUPAC Name: 4-[2,6-dibromo-4-[2-[3,5-dibromo-4-(3,4-dicarboxyphenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phthalic acid Traditional Name: 4-[2,6-dibromo-4-[1-[3,5-dibromo-4-(3,4-dicarboxyphenoxy)phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy]phthalic acid Formula: C31H14Br4F6O10 MolecularWeight: 980.043279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2Br)C(C3=CC(=C(C(=C3)Br)OC4=CC(=C(C=C4)C(=O)O)C(=O)O)Br)(C(F)(F)F)C(F)(F)F)Br)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2Br)C(C3=CC(=C(C(=C3)Br)OC4=CC(=C(C=C4)C(=O)O)C(=O)O)Br)(C(F)(F)F)C(F)(F)F)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C31H14Br4F6O10/c32-19-5-11(6-20(33)23(19)50-13-1-3-15(25(42)43)17(9-13)27(46)47)29(30(36,37)38,31(39,40)41)12-7-21(34)24(22(35)8-12)51-14-2-4-16(26(44)45)18(10-14)28(48)49/h1-10H,(H,42,43)(H,44,45)(H,46,47)(H,48,49)