2-chloranyl-4-methylsulfanyl-5-nitro-benzoic acid

Systemtic Name: 2-chloranyl-4-methylsulfanyl-5-nitro-benzoic acid Openeye Name: 2-chloro-4-methylsulfanyl-5-nitro-benzoic acid CAS Name: 2-chloro-4-(methylthio)-5-nitrobenzoic acid IUPAC Name: 2-chloro-4-methylsulfanyl-5-nitrobenzoic acid Traditional Name: 2-chloro-4-(methylthio)-5-nitro-benzoic acid Formula: C8H6ClNO4S MolecularWeight: 247.65554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6ClNO4S/c1-15-7-3-5(9)4(8(11)12)2-6(7)10(13)14/h2-3H,1H3,(H,11,12)