2-methoxy-5-nitro-4-sulfanyl-benzoate

Systemtic Name: 2-methoxy-5-nitro-4-sulfanyl-benzoate Openeye Name: 2-methoxy-5-nitro-4-sulfanyl-benzoate CAS Name: 4-mercapto-2-methoxy-5-nitrobenzoate IUPAC Name: 2-methoxy-5-nitro-4-sulfanylbenzoate Traditional Name: 4-mercapto-2-methoxy-5-nitro-benzoate Formula: C8H6NO5S- MolecularWeight: 228.20194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])S

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)[O-])[N+](=O)[O-])S

InChI

InChI=1S/C8H7NO5S/c1-14-6-3-7(15)5(9(12)13)2-4(6)8(10)11/h2-3,15H,1H3,(H,10,11)/p-1