3-[4-chloranyl-3-(2,3-dicarboxyphenyl)sulfonyl-phenyl]sulfonylphthalic acid

Systemtic Name: 3-[4-chloranyl-3-(2,3-dicarboxyphenyl)sulfonyl-phenyl]sulfonylphthalic acid Openeye Name: 3-[4-chloro-3-(2,3-dicarboxyphenyl)sulfonyl-phenyl]sulfonylphthalic acid CAS Name: 3-[4-chloro-3-(2,3-dicarboxyphenyl)sulfonylphenyl]sulfonylphthalic acid IUPAC Name: 3-[4-chloro-3-(2,3-dicarboxyphenyl)sulfonylphenyl]sulfonylphthalic acid Traditional Name: 3-[4-chloro-3-(2,3-dicarboxyphenyl)sulfonyl-phenyl]sulfonylphthalic acid Formula: C22H13ClO12S2 MolecularWeight: 568.91442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C3=CC=CC(=C3C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H13ClO12S2/c23-13-8-7-10(36(32,33)14-5-1-3-11(19(24)25)17(14)21(28)29)9-16(13)37(34,35)15-6-2-4-12(20(26)27)18(15)22(30)31/h1-9H,(H,24,25)(H,26,27)(H,28,29)(H,30,31)