sodium 3-nitro-4-sulfanyl-benzoic acid

Systemtic Name: sodium 3-nitro-4-sulfanyl-benzoic acid Openeye Name: sodium 3-nitro-4-sulfanyl-benzoic acid CAS Name: sodium 4-mercapto-3-nitrobenzoic acid IUPAC Name: sodium 3-nitro-4-sulfanylbenzoic acid Traditional Name: sodium 4-mercapto-3-nitro-benzoic acid Formula: C7H5NNaO4S+ MolecularWeight: 222.17367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])S.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])S.[Na+]

InChI

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