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

Systemtic Name: methyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]acetic acid methyl ester Formula: C10H11NO6S2 MolecularWeight: 305.32744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

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