5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 5-nitro-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 5-nitro-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 5-nitro-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 4-keto-5-nitro-cyclohexa-1,5-diene-1-sulfonic acid Formula: C6H5NO6S MolecularWeight: 219.172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1,3H,2H2,(H,11,12,13)