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

Systemtic Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenoxy]phenyl]sulfonylbenzene-1,3-dicarboxylic acid Openeye Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenoxy]phenyl]sulfonylbenzene-1,3-dicarboxylic acid CAS Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenoxy]phenyl]sulfonylbenzene-1,3-dicarboxylic acid IUPAC Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenoxy]phenyl]sulfonylbenzene-1,3-dicarboxylic acid Traditional Name: 4-[4-[4-(2,4-dicarboxyphenyl)sulfonylphenoxy]phenyl]sulfonylisophthalic acid Formula: C28H18O13S2 MolecularWeight: 626.56472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=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=C1OC2=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/C28H18O13S2/c29-25(30)15-1-11-23(21(13-15)27(33)34)42(37,38)19-7-3-17(4-8-19)41-18-5-9-20(10-6-18)43(39,40)24-12-2-16(26(31)32)14-22(24)28(35)36/h1-14H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)