2-[(1-oxidanidylpyridin-1-ium-4-yl)sulfanylcarbonylamino]pentanedioic acid

Systemtic Name: 2-[(1-oxidanidylpyridin-1-ium-4-yl)sulfanylcarbonylamino]pentanedioic acid Openeye Name: 2-[(1-oxidopyridin-1-ium-4-yl)sulfanylcarbonylamino]pentanedioic acid CAS Name: 2-[[[(1-oxido-4-pyridin-1-iumyl)thio]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(1-oxidopyridin-1-ium-4-yl)sulfanylcarbonylamino]pentanedioic acid Traditional Name: 2-[[(1-oxidopyridin-1-ium-4-yl)thio]carbonylamino]glutaric acid Formula: C11H12N2O6S MolecularWeight: 300.28778

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1SC(=O)NC(CCC(=O)O)C(=O)O)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1SC(=O)NC(CCC(=O)O)C(=O)O)[O-]

InChI

InChI=1S/C11H12N2O6S/c14-9(15)2-1-8(10(16)17)12-11(18)20-7-3-5-13(19)6-4-7/h3-6,8H,1-2H2,(H,12,18)(H,14,15)(H,16,17)