3-(1-hydroxyethylsulfonyl)-2-nitro-benzoic acid

Systemtic Name: 3-(1-hydroxyethylsulfonyl)-2-nitro-benzoic acid Openeye Name: 3-(1-hydroxyethylsulfonyl)-2-nitro-benzoic acid CAS Name: 3-(1-hydroxyethylsulfonyl)-2-nitrobenzoic acid IUPAC Name: 3-(1-hydroxyethylsulfonyl)-2-nitrobenzoic acid Traditional Name: 3-(1-hydroxyethylsulfonyl)-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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