2-(2-hydroxyethylsulfonyl)-3-nitro-benzoic acid

Systemtic Name: 2-(2-hydroxyethylsulfonyl)-3-nitro-benzoic acid Openeye Name: 2-(2-hydroxyethylsulfonyl)-3-nitro-benzoic acid CAS Name: 2-(2-hydroxyethylsulfonyl)-3-nitrobenzoic acid IUPAC Name: 2-(2-hydroxyethylsulfonyl)-3-nitrobenzoic acid Traditional Name: 2-(2-hydroxyethylsulfonyl)-3-nitro-benzoic acid Formula: C9H9NO7S MolecularWeight: 275.23526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO7S/c11-4-5-18(16,17)8-6(9(12)13)2-1-3-7(8)10(14)15/h1-3,11H,4-5H2,(H,12,13)