5-chloranyl-2-fluoranyl-3-hexylsulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-fluoranyl-3-hexylsulfonyl-benzoic acid Openeye Name: 5-chloro-2-fluoro-3-hexylsulfonyl-benzoic acid CAS Name: 5-chloro-2-fluoro-3-hexylsulfonylbenzoic acid IUPAC Name: 5-chloro-2-fluoro-3-hexylsulfonylbenzoic acid Traditional Name: 5-chloro-2-fluoro-3-hexylsulfonyl-benzoic acid Formula: C13H16ClFO4S MolecularWeight: 322.780143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)F

Isomeric SMILES

CCCCCCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)F

InChI

InChI=1S/C13H16ClFO4S/c1-2-3-4-5-6-20(18,19)11-8-9(14)7-10(12(11)15)13(16)17/h7-8H,2-6H2,1H3,(H,16,17)