3-[2-methyl-1-oxidanyl-5-(oxidanylamino)-1,5-bis(oxidanylidene)-3-sulfanyl-pentan-3-yl]benzoic acid

Systemtic Name: 3-[2-methyl-1-oxidanyl-5-(oxidanylamino)-1,5-bis(oxidanylidene)-3-sulfanyl-pentan-3-yl]benzoic acid Openeye Name: 3-[3-hydroxy-1-[2-(hydroxyamino)-2-oxo-ethyl]-2-methyl-3-oxo-1-sulfanyl-propyl]benzoic acid CAS Name: 3-[1-hydroxy-5-(hydroxyamino)-3-mercapto-2-methyl-1,5-dioxopentan-3-yl]benzoic acid IUPAC Name: 3-[1-hydroxy-5-(hydroxyamino)-2-methyl-1,5-dioxo-3-sulfanylpentan-3-yl]benzoic acid Traditional Name: 3-[3-hydroxy-1-[2-(hydroxyamino)-2-keto-ethyl]-3-keto-1-mercapto-2-methyl-propyl]benzoic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6S/c1-7(11(16)17)13(21,6-10(15)14-20)9-4-2-3-8(5-9)12(18)19/h2-5,7,20-21H,6H2,1H3,(H,14,15)(H,16,17)(H,18,19)