3-[2-carboxy-4-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-butyl]benzoic acid

Systemtic Name: 3-[2-carboxy-4-[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanyl-butyl]benzoic acid Openeye Name: 3-[2-carboxy-4-[2-(hydroxyamino)-2-oxo-ethyl]sulfanyl-butyl]benzoic acid CAS Name: 3-[2-carboxy-4-[[2-(hydroxyamino)-2-oxoethyl]thio]butyl]benzoic acid IUPAC Name: 3-[2-carboxy-4-[2-(hydroxyamino)-2-oxoethyl]sulfanylbutyl]benzoic acid Traditional Name: 3-[2-carboxy-4-[[2-(hydroxyamino)-2-keto-ethyl]thio]butyl]benzoic acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CCSCC(=O)NO)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CCSCC(=O)NO)C(=O)O)C(=O)O

InChI

InChI=1S/C14H17NO6S/c16-12(15-21)8-22-5-4-11(14(19)20)7-9-2-1-3-10(6-9)13(17)18/h1-3,6,11,21H,4-5,7-8H2,(H,15,16)(H,17,18)(H,19,20)