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

Systemtic Name: methyl 2-(4-nitro-2-sulfamoyl-phenyl)sulfanylethanoate Openeye Name: methyl 2-(4-nitro-2-sulfamoyl-phenyl)sulfanylacetate CAS Name: 2-[(4-nitro-2-sulfamoylphenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-nitro-2-sulfamoylphenyl)sulfanylacetate Traditional Name: 2-[(4-nitro-2-sulfamoyl-phenyl)thio]acetic acid methyl ester Formula: C9H10N2O6S2 MolecularWeight: 306.3155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O6S2/c1-17-9(12)5-18-7-3-2-6(11(13)14)4-8(7)19(10,15)16/h2-4H,5H2,1H3,(H2,10,15,16)