2-[3-(carboxymethylsulfonyl)phenyl]sulfonylethanoic acid

Systemtic Name: 2-[3-(carboxymethylsulfonyl)phenyl]sulfonylethanoic acid Openeye Name: 2-[3-(carboxymethylsulfonyl)phenyl]sulfonylacetic acid CAS Name: 2-[3-(carboxymethylsulfonyl)phenyl]sulfonylacetic acid IUPAC Name: 2-[3-(carboxymethylsulfonyl)phenyl]sulfonylacetic acid Traditional Name: 2-[3-(carboxymethylsulfonyl)phenyl]sulfonylacetic acid Formula: C10H10O8S2 MolecularWeight: 322.3116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CC(=O)O)S(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CC(=O)O)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C10H10O8S2/c11-9(12)5-19(15,16)7-2-1-3-8(4-7)20(17,18)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)