4-nitro-2-sulfanyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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