4-[3-(3,4-dicarboxyphenyl)-5-(trifluoromethyl)phenyl]phthalic acid

Systemtic Name: 4-[3-(3,4-dicarboxyphenyl)-5-(trifluoromethyl)phenyl]phthalic acid Openeye Name: 4-[3-(3,4-dicarboxyphenyl)-5-(trifluoromethyl)phenyl]phthalic acid CAS Name: 4-[3-(3,4-dicarboxyphenyl)-5-(trifluoromethyl)phenyl]phthalic acid IUPAC Name: 4-[3-(3,4-dicarboxyphenyl)-5-(trifluoromethyl)phenyl]phthalic acid Traditional Name: 4-[3-(3,4-dicarboxyphenyl)-5-(trifluoromethyl)phenyl]phthalic acid Formula: C23H13F3O8 MolecularWeight: 474.33973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C23H13F3O8/c24-23(25,26)14-6-12(10-1-3-15(19(27)28)17(8-10)21(31)32)5-13(7-14)11-2-4-16(20(29)30)18(9-11)22(33)34/h1-9H,(H,27,28)(H,29,30)(H,31,32)(H,33,34)