2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetate IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetate Formula: C9H8NO6S2- MolecularWeight: 290.29292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6S2/c1-18(15,16)6-2-3-8(17-5-9(11)12)7(4-6)10(13)14/h2-4H,5H2,1H3,(H,11,12)/p-1