6-nitro-1-sulfanyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 6-nitro-1-sulfanyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 6-nitro-1-sulfanyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1-mercapto-6-nitro-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 6-nitro-1-sulfanylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-mercapto-6-nitro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C7H7NO4S MolecularWeight: 201.19978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7NO4S/c9-6(10)7(13)4-2-1-3-5(7)8(11)12/h1-5,13H,(H,9,10)