4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenyl]phenyl]sulfonylbenzene-1,3-dicarboxylic acid

Systemtic Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenyl]phenyl]sulfonylbenzene-1,3-dicarboxylic acid Openeye Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenyl]phenyl]sulfonylbenzene-1,3-dicarboxylic acid CAS Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenyl]phenyl]sulfonylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenyl]phenyl]sulfonylbenzene-1,3-dicarboxylic acid Traditional Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenyl]phenyl]sulfonylisophthalic acid Formula: C28H18O12S2 MolecularWeight: 610.56532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O)S(=O)(=O)C4=C(C=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O)S(=O)(=O)C4=C(C=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C28H18O12S2/c29-25(30)17-5-11-23(21(13-17)27(33)34)41(37,38)19-7-1-15(2-8-19)16-3-9-20(10-4-16)42(39,40)24-12-6-18(26(31)32)14-22(24)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)