3-[4-[4-(2,3-dicarboxyphenyl)carbonylphenyl]sulfonylphenyl]carbonylphthalic acid

Systemtic Name: 3-[4-[4-(2,3-dicarboxyphenyl)carbonylphenyl]sulfonylphenyl]carbonylphthalic acid Openeye Name: 3-[4-[4-(2,3-dicarboxybenzoyl)phenyl]sulfonylbenzoyl]phthalic acid CAS Name: 3-[[4-[4-[(2,3-dicarboxyphenyl)-oxomethyl]phenyl]sulfonylphenyl]-oxomethyl]phthalic acid IUPAC Name: 3-[4-[4-(2,3-dicarboxybenzoyl)phenyl]sulfonylbenzoyl]phthalic acid Traditional Name: 3-[4-[4-(2,3-dicarboxybenzoyl)phenyl]sulfonylbenzoyl]phthalic acid Formula: C30H18O12S MolecularWeight: 602.52172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H18O12S/c31-25(19-3-1-5-21(27(33)34)23(19)29(37)38)15-7-11-17(12-8-15)43(41,42)18-13-9-16(10-14-18)26(32)20-4-2-6-22(28(35)36)24(20)30(39)40/h1-14H,(H,33,34)(H,35,36)(H,37,38)(H,39,40)