2-[4-[[4-(carboxymethylsulfonyl)phenyl]methyl]phenyl]sulfonylethanoic acid

Systemtic Name: 2-[4-[[4-(carboxymethylsulfonyl)phenyl]methyl]phenyl]sulfonylethanoic acid Openeye Name: 2-[4-[[4-(carboxymethylsulfonyl)phenyl]methyl]phenyl]sulfonylacetic acid CAS Name: 2-[4-[[4-(carboxymethylsulfonyl)phenyl]methyl]phenyl]sulfonylacetic acid IUPAC Name: 2-[4-[[4-(carboxymethylsulfonyl)phenyl]methyl]phenyl]sulfonylacetic acid Traditional Name: 2-[4-[4-(carboxymethylsulfonyl)benzyl]phenyl]sulfonylacetic acid Formula: C17H16O8S2 MolecularWeight: 412.43414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=C(C=C2)S(=O)(=O)CC(=O)O)S(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=C(C=C2)S(=O)(=O)CC(=O)O)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C17H16O8S2/c18-16(19)10-26(22,23)14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)27(24,25)11-17(20)21/h1-8H,9-11H2,(H,18,19)(H,20,21)