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

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)ethanoic acid Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)acetic acid CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)acetic acid IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)acetic acid Traditional Name: 2-(4-mesyl-2-nitro-phenyl)acetic acid Formula: C9H9NO6S MolecularWeight: 259.23586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6S/c1-17(15,16)7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)