2-[1-(3-nitrophenyl)-1-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-ethyl]sulfanylethanoate

Systemtic Name: 2-[1-(3-nitrophenyl)-1-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-ethyl]sulfanylethanoate Openeye Name: 2-[1-(3-nitrophenyl)-1-(2-oxido-2-oxo-ethyl)sulfanyl-ethyl]sulfanylacetate CAS Name: 2-[[1-(3-nitrophenyl)-1-[(2-oxido-2-oxoethyl)thio]ethyl]thio]acetate IUPAC Name: 2-[1-(3-nitrophenyl)-1-(2-oxido-2-oxoethyl)sulfanylethyl]sulfanylacetate Traditional Name: 2-[[1-[(2-keto-2-oxido-ethyl)thio]-1-(3-nitrophenyl)ethyl]thio]acetate Formula: C12H11NO6S2-2 MolecularWeight: 329.34884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])(SCC(=O)[O-])SCC(=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])(SCC(=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C12H13NO6S2/c1-12(20-6-10(14)15,21-7-11(16)17)8-3-2-4-9(5-8)13(18)19/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)/p-2