2-(3-nitrophenyl)sulfonylethanoic acid

Systemtic Name: 2-(3-nitrophenyl)sulfonylethanoic acid Openeye Name: 2-(3-nitrophenyl)sulfonylacetic acid CAS Name: 2-(3-nitrophenyl)sulfonylacetic acid IUPAC Name: 2-(3-nitrophenyl)sulfonylacetic acid Traditional Name: 2-(3-nitrophenyl)sulfonylacetic acid Formula: C8H7NO6S MolecularWeight: 245.20928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO6S/c10-8(11)5-16(14,15)7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)