5-(1-hydroxyethylsulfonyl)-2-nitro-benzoic acid

Systemtic Name: 5-(1-hydroxyethylsulfonyl)-2-nitro-benzoic acid Openeye Name: 5-(1-hydroxyethylsulfonyl)-2-nitro-benzoic acid CAS Name: 5-(1-hydroxyethylsulfonyl)-2-nitrobenzoic acid IUPAC Name: 5-(1-hydroxyethylsulfonyl)-2-nitrobenzoic acid Traditional Name: 5-(1-hydroxyethylsulfonyl)-2-nitro-benzoic acid Formula: C9H9NO7S MolecularWeight: 275.23526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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