4-methoxy-2-nitro-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 4-methoxy-2-nitro-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 4-methoxy-2-nitro-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 4-methoxy-2-nitro-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 4-methoxy-2-nitrocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 4-methoxy-2-nitro-cyclohexa-1,3-diene-1-sulfonic acid Formula: C7H9NO6S MolecularWeight: 235.21446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(CC1)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(CC1)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C7H9NO6S/c1-14-5-2-3-7(15(11,12)13)6(4-5)8(9)10/h4H,2-3H2,1H3,(H,11,12,13)