2-oxidanyl-4-[[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethoxy]carbonylamino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[[2-oxidanylidene-2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethoxy]carbonylamino]benzoic acid Openeye Name: 2-hydroxy-4-[[2-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethoxy]carbonylamino]benzoic acid CAS Name: 2-hydroxy-4-[[[2-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-2-oxoethoxy]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[2-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-2-oxoethoxy]carbonylamino]benzoic acid Traditional Name: 2-hydroxy-4-[[2-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]amino]-2-keto-ethoxy]carbonylamino]benzoic acid Formula: C13H14N2O8S MolecularWeight: 358.32386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)OCC(=O)NC(CS)C(=O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)OCC(=O)NC(CS)C(=O)O)O)C(=O)O

InChI

InChI=1S/C13H14N2O8S/c16-9-3-6(1-2-7(9)11(18)19)14-13(22)23-4-10(17)15-8(5-24)12(20)21/h1-3,8,16,24H,4-5H2,(H,14,22)(H,15,17)(H,18,19)(H,20,21)