4-ethyl-3-nitro-2-sulfanyl-benzoic acid

Systemtic Name: 4-ethyl-3-nitro-2-sulfanyl-benzoic acid Openeye Name: 4-ethyl-3-nitro-2-sulfanyl-benzoic acid CAS Name: 4-ethyl-2-mercapto-3-nitrobenzoic acid IUPAC Name: 4-ethyl-3-nitro-2-sulfanylbenzoic acid Traditional Name: 4-ethyl-2-mercapto-3-nitro-benzoic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)C(=O)O)S)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1)C(=O)O)S)[N+](=O)[O-]

InChI

InChI=1S/C9H9NO4S/c1-2-5-3-4-6(9(11)12)8(15)7(5)10(13)14/h3-4,15H,2H2,1H3,(H,11,12)