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

Systemtic Name: 5-chloranyl-2-methylsulfonyl-4-nitro-benzoic acid Openeye Name: 5-chloro-2-methylsulfonyl-4-nitro-benzoic acid CAS Name: 5-chloro-2-methylsulfonyl-4-nitrobenzoic acid IUPAC Name: 5-chloro-2-methylsulfonyl-4-nitrobenzoic acid Traditional Name: 5-chloro-2-mesyl-4-nitro-benzoic acid Formula: C8H6ClNO6S MolecularWeight: 279.65434

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C8H6ClNO6S/c1-17(15,16)7-3-6(10(13)14)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)