4-[(3,4-dicarboxyphenyl)-bis(fluoranyl)methyl]phthalic acid

Systemtic Name: 4-[(3,4-dicarboxyphenyl)-bis(fluoranyl)methyl]phthalic acid Openeye Name: 4-[(3,4-dicarboxyphenyl)-difluoro-methyl]phthalic acid CAS Name: 4-[(3,4-dicarboxyphenyl)-difluoromethyl]phthalic acid IUPAC Name: 4-[(3,4-dicarboxyphenyl)-difluoromethyl]phthalic acid Traditional Name: 4-[(3,4-dicarboxyphenyl)-difluoro-methyl]phthalic acid Formula: C17H10F2O8 MolecularWeight: 380.253306

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H10F2O8/c18-17(19,7-1-3-9(13(20)21)11(5-7)15(24)25)8-2-4-10(14(22)23)12(6-8)16(26)27/h1-6H,(H,20,21)(H,22,23)(H,24,25)(H,26,27)