3-nitro-5-sulfanylidene-cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 3-nitro-5-sulfanylidene-cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 3-nitro-5-thioxo-cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 3-nitro-5-sulfanylidene-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 3-nitro-5-sulfanylidenecyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 3-nitro-5-thioxo-cyclohexa-1,3-diene-1-carboxylic acid Formula: C7H5NO4S MolecularWeight: 199.1839

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=CC1=S)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(=CC(=CC1=S)[N+](=O)[O-])C(=O)O

InChI

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