methyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfonylethanoate

Systemtic Name: methyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfonylethanoate Openeye Name: methyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfonylacetate CAS Name: 2-[4-(methylthio)-2-nitrophenyl]sulfonylacetic acid methyl ester IUPAC Name: methyl 2-(4-methylsulfanyl-2-nitrophenyl)sulfonylacetate Traditional Name: 2-[4-(methylthio)-2-nitro-phenyl]sulfonylacetic acid methyl ester Formula: C10H11NO6S2 MolecularWeight: 305.32744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CS(=O)(=O)C1=C(C=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO6S2/c1-17-10(12)6-19(15,16)9-4-3-7(18-2)5-8(9)11(13)14/h3-5H,6H2,1-2H3