4-[4-(3,4-dicarboxyphenyl)sulfonylphenyl]sulfanylphthalic acid

Systemtic Name: 4-[4-(3,4-dicarboxyphenyl)sulfonylphenyl]sulfanylphthalic acid Openeye Name: 4-[4-(3,4-dicarboxyphenyl)sulfonylphenyl]sulfanylphthalic acid CAS Name: 4-[[4-(3,4-dicarboxyphenyl)sulfonylphenyl]thio]phthalic acid IUPAC Name: 4-[4-(3,4-dicarboxyphenyl)sulfonylphenyl]sulfanylphthalic acid Traditional Name: 4-[[4-(3,4-dicarboxyphenyl)sulfonylphenyl]thio]phthalic acid Formula: C22H14O10S2 MolecularWeight: 502.47056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=CC(=C(C=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1SC2=CC(=C(C=C2)C(=O)O)C(=O)O)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H14O10S2/c23-19(24)15-7-3-12(9-17(15)21(27)28)33-11-1-4-13(5-2-11)34(31,32)14-6-8-16(20(25)26)18(10-14)22(29)30/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)