2-[2,4-dinitro-5-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-phenyl]sulfanylethanoate

Systemtic Name: 2-[2,4-dinitro-5-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-phenyl]sulfanylethanoate Openeye Name: 2-[2,4-dinitro-5-(2-oxido-2-oxo-ethyl)sulfanyl-phenyl]sulfanylacetate CAS Name: 2-[[2,4-dinitro-5-[(2-oxido-2-oxoethyl)thio]phenyl]thio]acetate IUPAC Name: 2-[2,4-dinitro-5-(2-oxido-2-oxoethyl)sulfanylphenyl]sulfanylacetate Traditional Name: 2-[[5-[(2-keto-2-oxido-ethyl)thio]-2,4-dinitro-phenyl]thio]acetate Formula: C10H6N2O8S2-2 MolecularWeight: 346.29324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O8S2/c13-9(14)3-21-7-2-8(22-4-10(15)16)6(12(19)20)1-5(7)11(17)18/h1-2H,3-4H2,(H,13,14)(H,15,16)/p-2