4-chloranyl-2-(fluoranylmethyl)-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(fluoranylmethyl)-5-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-(fluoromethyl)-5-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2-(fluoromethyl)-5-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-(fluoromethyl)-5-methylsulfonylbenzoic acid Traditional Name: 4-chloro-2-(fluoromethyl)-5-mesyl-benzoic acid Formula: C9H8ClFO4S MolecularWeight: 266.673823

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)CF)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)CF)Cl

InChI

InChI=1S/C9H8ClFO4S/c1-16(14,15)8-3-6(9(12)13)5(4-11)2-7(8)10/h2-3H,4H2,1H3,(H,12,13)