3-methylsulfanyl-5-nitro-benzoic acid

Systemtic Name: 3-methylsulfanyl-5-nitro-benzoic acid Openeye Name: 3-methylsulfanyl-5-nitro-benzoic acid CAS Name: 3-(methylthio)-5-nitrobenzoic acid IUPAC Name: 3-methylsulfanyl-5-nitrobenzoic acid Traditional Name: 3-(methylthio)-5-nitro-benzoic acid Formula: C8H7NO4S MolecularWeight: 213.21048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO4S/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)