4-[4-(4-carboxyphenoxy)phenyl]sulfonylphthalic acid

Systemtic Name: 4-[4-(4-carboxyphenoxy)phenyl]sulfonylphthalic acid Openeye Name: 4-[4-(4-carboxyphenoxy)phenyl]sulfonylphthalic acid CAS Name: 4-[4-(4-carboxyphenoxy)phenyl]sulfonylphthalic acid IUPAC Name: 4-[4-(4-carboxyphenoxy)phenyl]sulfonylphthalic acid Traditional Name: 4-[4-(4-carboxyphenoxy)phenyl]sulfonylphthalic acid Formula: C21H14O9S MolecularWeight: 442.39546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H14O9S/c22-19(23)12-1-3-13(4-2-12)30-14-5-7-15(8-6-14)31(28,29)16-9-10-17(20(24)25)18(11-16)21(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)