3-[3-oxidanyl-2-[[1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanylmethyl]-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 3-[3-oxidanyl-2-[[1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]sulfanylmethyl]-3-oxidanylidene-propyl]benzoic acid Openeye Name: 3-[3-hydroxy-2-[1-(hydroxycarbamoyl)propylsulfanylmethyl]-3-oxo-propyl]benzoic acid CAS Name: 3-[3-hydroxy-2-[[[1-(hydroxyamino)-1-oxobutan-2-yl]thio]methyl]-3-oxopropyl]benzoic acid IUPAC Name: 3-[3-hydroxy-2-[[1-(hydroxyamino)-1-oxobutan-2-yl]sulfanylmethyl]-3-oxopropyl]benzoic acid Traditional Name: 3-[3-hydroxy-2-[[1-(hydroxycarbamoyl)propylthio]methyl]-3-keto-propyl]benzoic acid Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NO)SCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C(=O)NO)SCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C15H19NO6S/c1-2-12(13(17)16-22)23-8-11(15(20)21)7-9-4-3-5-10(6-9)14(18)19/h3-6,11-12,22H,2,7-8H2,1H3,(H,16,17)(H,18,19)(H,20,21)