2-[3-chloranyl-2,5,6-tris(fluoranyl)-4-methylsulfonyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-2,5,6-tris(fluoranyl)-4-methylsulfonyl-phenyl]ethanoic acid Openeye Name: 2-(3-chloro-2,5,6-trifluoro-4-methylsulfonyl-phenyl)acetic acid CAS Name: 2-(3-chloro-2,5,6-trifluoro-4-methylsulfonylphenyl)acetic acid IUPAC Name: 2-(3-chloro-2,5,6-trifluoro-4-methylsulfonylphenyl)acetic acid Traditional Name: 2-(3-chloro-2,5,6-trifluoro-4-mesyl-phenyl)acetic acid Formula: C9H6ClF3O4S MolecularWeight: 302.65475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6ClF3O4S/c1-18(16,17)9-5(10)6(11)3(2-4(14)15)7(12)8(9)13/h2H2,1H3,(H,14,15)