5-nitro-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 5-nitro-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 5-nitro-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 5-nitro-4-sulfonyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 5-nitro-4-sulfonylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 5-nitro-4-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C7H5NO6S MolecularWeight: 231.1827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1=S(=O)=O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C=C(C=C(C1=S(=O)=O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H5NO6S/c9-7(10)4-1-2-6(15(13)14)5(3-4)8(11)12/h1,3H,2H2,(H,9,10)