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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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