5-methylsulfonyl-3-nitro-benzene-1,2-diol

Systemtic Name: 5-methylsulfonyl-3-nitro-benzene-1,2-diol Openeye Name: 5-methylsulfonyl-3-nitro-benzene-1,2-diol CAS Name: 5-methylsulfonyl-3-nitrobenzene-1,2-diol IUPAC Name: 5-methylsulfonyl-3-nitrobenzene-1,2-diol Traditional Name: 5-mesyl-3-nitro-pyrocatechol Formula: C7H7NO6S MolecularWeight: 233.19858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO6S/c1-15(13,14)4-2-5(8(11)12)7(10)6(9)3-4/h2-3,9-10H,1H3