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

Systemtic Name: ethyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfonylethanoate Openeye Name: ethyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfonylacetate CAS Name: 2-[4-(methylthio)-2-nitrophenyl]sulfonylacetic acid ethyl ester IUPAC Name: ethyl 2-(4-methylsulfanyl-2-nitrophenyl)sulfonylacetate Traditional Name: 2-[4-(methylthio)-2-nitro-phenyl]sulfonylacetic acid ethyl ester Formula: C11H13NO6S2 MolecularWeight: 319.35402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S2/c1-3-18-11(13)7-20(16,17)10-5-4-8(19-2)6-9(10)12(14)15/h4-6H,3,7H2,1-2H3