2-nitro-5-sulfanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 2-nitro-5-sulfanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: 2-nitro-5-thioxo-cyclohexa-1,3-diene-1-carboxylate CAS Name: 2-nitro-5-sulfanylidene-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: 2-nitro-5-sulfanylidenecyclohexa-1,3-diene-1-carboxylate Traditional Name: 2-nitro-5-thioxo-cyclohexa-1,3-diene-1-carboxylate Formula: C7H4NO4S- MolecularWeight: 198.17596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO4S/c9-7(10)5-3-4(13)1-2-6(5)8(11)12/h1-2H,3H2,(H,9,10)/p-1