disodium 2-nitro-5-sulfonatosulfanyl-benzoate

Systemtic Name: disodium 2-nitro-5-sulfonatosulfanyl-benzoate Openeye Name: disodium 2-nitro-5-sulfonatosulfanyl-benzoate CAS Name: disodium 2-nitro-5-(sulfonatothio)benzoate IUPAC Name: disodium 2-nitro-5-sulfonatosulfanylbenzoate Traditional Name: disodium 2-nitro-5-(sulfonatothio)benzoate Formula: C7H3NNa2O7S2 MolecularWeight: 323.21076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SS(=O)(=O)[O-])C(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1SS(=O)(=O)[O-])C(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C7H5NO7S2.2Na/c9-7(10)5-3-4(16-17(13,14)15)1-2-6(5)8(11)12;;/h1-3H,(H,9,10)(H,13,14,15);;/q;2*+1/p-2