methyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: methyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: methyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid methyl ester IUPAC Name: methyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid methyl ester Formula: C10H11NO7S2 MolecularWeight: 321.32684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO7S2/c1-18-10(12)6-19(15)9-4-3-7(20(2,16)17)5-8(9)11(13)14/h3-5H,6H2,1-2H3