2-[(5-fluoranyl-2-nitro-phenyl)methylsulfonyl]ethanoic acid

Systemtic Name: 2-[(5-fluoranyl-2-nitro-phenyl)methylsulfonyl]ethanoic acid Openeye Name: 2-[(5-fluoro-2-nitro-phenyl)methylsulfonyl]acetic acid CAS Name: 2-[(5-fluoro-2-nitrophenyl)methylsulfonyl]acetic acid IUPAC Name: 2-[(5-fluoro-2-nitrophenyl)methylsulfonyl]acetic acid Traditional Name: 2-(5-fluoro-2-nitro-benzyl)sulfonylacetic acid Formula: C9H8FNO6S MolecularWeight: 277.226323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)CS(=O)(=O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)CS(=O)(=O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H8FNO6S/c10-7-1-2-8(11(14)15)6(3-7)4-18(16,17)5-9(12)13/h1-3H,4-5H2,(H,12,13)