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

Systemtic Name: 4-[4-[2-[4-(3,4-dicarboxyphenoxy)-3,5-dimethyl-phenyl]-1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl]-2,6-dimethyl-phenoxy]phthalic acid Openeye Name: 4-[4-[1-[4-(3,4-dicarboxyphenoxy)-3,5-dimethyl-phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2,6-dimethyl-phenoxy]phthalic acid CAS Name: 4-[4-[2-[4-(3,4-dicarboxyphenoxy)-3,5-dimethylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-dimethylphenoxy]phthalic acid IUPAC Name: 4-[4-[2-[4-(3,4-dicarboxyphenoxy)-3,5-dimethylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2,6-dimethylphenoxy]phthalic acid Traditional Name: 4-[4-[1-[4-(3,4-dicarboxyphenoxy)-3,5-dimethyl-phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2,6-dimethyl-phenoxy]phthalic acid Formula: C35H26F6O10 MolecularWeight: 720.565359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)C(=O)O)C(=O)O)C)C(C3=CC(=C(C(=C3)C)OC4=CC(=C(C=C4)C(=O)O)C(=O)O)C)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)C(=O)O)C(=O)O)C)C(C3=CC(=C(C(=C3)C)OC4=CC(=C(C=C4)C(=O)O)C(=O)O)C)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C35H26F6O10/c1-15-9-19(10-16(2)27(15)50-21-5-7-23(29(42)43)25(13-21)31(46)47)33(34(36,37)38,35(39,40)41)20-11-17(3)28(18(4)12-20)51-22-6-8-24(30(44)45)26(14-22)32(48)49/h5-14H,1-4H3,(H,42,43)(H,44,45)(H,46,47)(H,48,49)