3-nitro-4-sulfanyl-benzoic acid

Systemtic Name: 3-nitro-4-sulfanyl-benzoic acid Openeye Name: 3-nitro-4-sulfanyl-benzoic acid CAS Name: 4-mercapto-3-nitrobenzoic acid IUPAC Name: 3-nitro-4-sulfanylbenzoic acid Traditional Name: 4-mercapto-3-nitro-benzoic acid Formula: C7H5NO4S MolecularWeight: 199.1839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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