3-[3-oxidanyl-2-[[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 3-[3-oxidanyl-2-[[2-(oxidanylamino)-2-oxidanylidene-ethyl]sulfanylmethyl]-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[3-hydroxy-2-[[2-(hydroxyamino)-2-oxo-ethyl]sulfanylmethyl]-3-oxo-propyl]benzoic acid CAS Name: 3-[3-hydroxy-2-[[[2-(hydroxyamino)-2-oxoethyl]thio]methyl]-3-oxopropyl]benzoic acid IUPAC Name: 3-[3-hydroxy-2-[[2-(hydroxyamino)-2-oxoethyl]sulfanylmethyl]-3-oxopropyl]benzoic acid Traditional Name: 3-[3-hydroxy-2-[[[2-(hydroxyamino)-2-keto-ethyl]thio]methyl]-3-keto-propyl]benzoic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6S/c15-11(14-20)7-21-6-10(13(18)19)5-8-2-1-3-9(4-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)