3-azanyl-4-chloranyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 3-azanyl-4-chloranyl-5-methylsulfonyl-benzoic acid Openeye Name: 3-amino-4-chloro-5-methylsulfonyl-benzoic acid CAS Name: 3-amino-4-chloro-5-methylsulfonylbenzoic acid IUPAC Name: 3-amino-4-chloro-5-methylsulfonylbenzoic acid Traditional Name: 3-amino-4-chloro-5-mesyl-benzoic acid Formula: C8H8ClNO4S MolecularWeight: 249.67142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1Cl)N)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1Cl)N)C(=O)O

InChI

InChI=1S/C8H8ClNO4S/c1-15(13,14)6-3-4(8(11)12)2-5(10)7(6)9/h2-3H,10H2,1H3,(H,11,12)