2-[2-(carboxymethylsulfonyl)quinolin-4-yl]sulfonylethanoic acid

Systemtic Name: 2-[2-(carboxymethylsulfonyl)quinolin-4-yl]sulfonylethanoic acid Openeye Name: 2-[[2-(carboxymethylsulfonyl)-4-quinolyl]sulfonyl]acetic acid CAS Name: 2-[[2-(carboxymethylsulfonyl)-4-quinolinyl]sulfonyl]acetic acid IUPAC Name: 2-[2-(carboxymethylsulfonyl)quinolin-4-yl]sulfonylacetic acid Traditional Name: 2-[[2-(carboxymethylsulfonyl)-4-quinolyl]sulfonyl]acetic acid Formula: C13H11NO8S2 MolecularWeight: 373.35834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)S(=O)(=O)CC(=O)O)S(=O)(=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)S(=O)(=O)CC(=O)O)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C13H11NO8S2/c15-12(16)6-23(19,20)10-5-11(24(21,22)7-13(17)18)14-9-4-2-1-3-8(9)10/h1-5H,6-7H2,(H,15,16)(H,17,18)