5-(2-azaniumylethyldisulfanyl)-2-nitro-benzoate

Systemtic Name: 5-(2-azaniumylethyldisulfanyl)-2-nitro-benzoate Openeye Name: 5-(2-azaniumylethyldisulfanyl)-2-nitro-benzoate CAS Name: 5-(2-ammonioethyldisulfanyl)-2-nitrobenzoate IUPAC Name: 5-(2-azaniumylethyldisulfanyl)-2-nitrobenzoate Traditional Name: 5-(2-ammonioethyldisulfanyl)-2-nitro-benzoate Formula: C9H10N2O4S2 MolecularWeight: 274.3167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SSCC[NH3+])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SSCC[NH3+])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O4S2/c10-3-4-16-17-6-1-2-8(11(14)15)7(5-6)9(12)13/h1-2,5H,3-4,10H2,(H,12,13)