2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoic acid

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoic acid Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetic acid CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid Formula: C9H9NO7S2 MolecularWeight: 307.30026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO7S2/c1-19(16,17)6-2-3-8(7(4-6)10(13)14)18(15)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)