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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

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