3-[4-[[4-(2,3-dicarboxyphenyl)sulfonylphenyl]methyl]phenyl]sulfonylphthalic acid

Systemtic Name: 3-[4-[[4-(2,3-dicarboxyphenyl)sulfonylphenyl]methyl]phenyl]sulfonylphthalic acid Openeye Name: 3-[4-[[4-(2,3-dicarboxyphenyl)sulfonylphenyl]methyl]phenyl]sulfonylphthalic acid CAS Name: 3-[4-[[4-(2,3-dicarboxyphenyl)sulfonylphenyl]methyl]phenyl]sulfonylphthalic acid IUPAC Name: 3-[4-[[4-(2,3-dicarboxyphenyl)sulfonylphenyl]methyl]phenyl]sulfonylphthalic acid Traditional Name: 3-[4-[4-(2,3-dicarboxyphenyl)sulfonylbenzyl]phenyl]sulfonylphthalic acid Formula: C29H20O12S2 MolecularWeight: 624.5919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)C2=CC=C(C=C2)CC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC(=C4C(=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)CC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC(=C4C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C29H20O12S2/c30-26(31)20-3-1-5-22(24(20)28(34)35)42(38,39)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)43(40,41)23-6-2-4-21(27(32)33)25(23)29(36)37/h1-14H,15H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)