3-bromanyl-5-methylsulfanyl-2-nitro-benzoic acid

Systemtic Name: 3-bromanyl-5-methylsulfanyl-2-nitro-benzoic acid Openeye Name: 3-bromo-5-methylsulfanyl-2-nitro-benzoic acid CAS Name: 3-bromo-5-(methylthio)-2-nitrobenzoic acid IUPAC Name: 3-bromo-5-methylsulfanyl-2-nitrobenzoic acid Traditional Name: 3-bromo-5-(methylthio)-2-nitro-benzoic acid Formula: C8H6BrNO4S MolecularWeight: 292.10654

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])Br

Isomeric SMILES

CSC1=CC(=C(C(=C1)C(=O)O)[N+](=O)[O-])Br

InChI

InChI=1S/C8H6BrNO4S/c1-15-4-2-5(8(11)12)7(10(13)14)6(9)3-4/h2-3H,1H3,(H,11,12)