2-nitro-4-sulfinyl-cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 2-nitro-4-sulfinyl-cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 2-nitro-4-sulfinyl-cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 2-nitro-4-sulfinyl-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 2-nitro-4-sulfinylcyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 2-nitro-4-sulfinyl-cyclohexa-2,5-diene-1-carboxylic acid Formula: C7H5NO5S MolecularWeight: 215.1833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO5S/c9-7(10)5-2-1-4(14-13)3-6(5)8(11)12/h1-3,5H,(H,9,10)