3-(1-hydroxyethylsulfonyl)-4-nitro-benzoic acid

Systemtic Name: 3-(1-hydroxyethylsulfonyl)-4-nitro-benzoic acid Openeye Name: 3-(1-hydroxyethylsulfonyl)-4-nitro-benzoic acid CAS Name: 3-(1-hydroxyethylsulfonyl)-4-nitrobenzoic acid IUPAC Name: 3-(1-hydroxyethylsulfonyl)-4-nitrobenzoic acid Traditional Name: 3-(1-hydroxyethylsulfonyl)-4-nitro-benzoic acid Formula: C9H9NO7S MolecularWeight: 275.23526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO7S/c1-5(11)18(16,17)8-4-6(9(12)13)2-3-7(8)10(14)15/h2-5,11H,1H3,(H,12,13)