4-[4-(4-carboxyphenyl)sulfonylphenyl]sulfanylphthalic acid

Systemtic Name: 4-[4-(4-carboxyphenyl)sulfonylphenyl]sulfanylphthalic acid Openeye Name: 4-[4-(4-carboxyphenyl)sulfonylphenyl]sulfanylphthalic acid CAS Name: 4-[[4-(4-carboxyphenyl)sulfonylphenyl]thio]phthalic acid IUPAC Name: 4-[4-(4-carboxyphenyl)sulfonylphenyl]sulfanylphthalic acid Traditional Name: 4-[[4-(4-carboxyphenyl)sulfonylphenyl]thio]phthalic acid Formula: C21H14O8S2 MolecularWeight: 458.46106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)SC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H14O8S2/c22-19(23)12-1-6-15(7-2-12)31(28,29)16-8-3-13(4-9-16)30-14-5-10-17(20(24)25)18(11-14)21(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)