3-nitro-4-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-benzoate

Systemtic Name: 3-nitro-4-(3-oxidanidyl-3-oxidanylidene-propyl)sulfanyl-benzoate Openeye Name: 3-nitro-4-(3-oxido-3-oxo-propyl)sulfanyl-benzoate CAS Name: 3-nitro-4-[(3-oxido-3-oxopropyl)thio]benzoate IUPAC Name: 3-nitro-4-(3-oxido-3-oxopropyl)sulfanylbenzoate Traditional Name: 4-[(3-keto-3-oxido-propyl)thio]-3-nitro-benzoate Formula: C10H7NO6S-2 MolecularWeight: 269.23068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO6S/c12-9(13)3-4-18-8-2-1-6(10(14)15)5-7(8)11(16)17/h1-2,5H,3-4H2,(H,12,13)(H,14,15)/p-2