2-(4-methylsulfanyl-2,6-dinitro-phenyl)sulfonylethanoic acid

Systemtic Name: 2-(4-methylsulfanyl-2,6-dinitro-phenyl)sulfonylethanoic acid Openeye Name: 2-(4-methylsulfanyl-2,6-dinitro-phenyl)sulfonylacetic acid CAS Name: 2-[4-(methylthio)-2,6-dinitrophenyl]sulfonylacetic acid IUPAC Name: 2-(4-methylsulfanyl-2,6-dinitrophenyl)sulfonylacetic acid Traditional Name: 2-[4-(methylthio)-2,6-dinitro-phenyl]sulfonylacetic acid Formula: C9H8N2O8S2 MolecularWeight: 336.29842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O8S2/c1-20-5-2-6(10(14)15)9(7(3-5)11(16)17)21(18,19)4-8(12)13/h2-3H,4H2,1H3,(H,12,13)