2-nitro-4-sulfanyl-benzoic acid

Systemtic Name: 2-nitro-4-sulfanyl-benzoic acid Openeye Name: 2-nitro-4-sulfanyl-benzoic acid CAS Name: 4-mercapto-2-nitrobenzoic acid IUPAC Name: 2-nitro-4-sulfanylbenzoic acid Traditional Name: 4-mercapto-2-nitro-benzoic acid Formula: C7H5NO4S MolecularWeight: 199.1839

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S)[N+](=O)[O-])C(=O)O

InChI

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