3-fluoranyl-5-hexylsulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-fluoranyl-5-hexylsulfonyl-4-methyl-benzoic acid Openeye Name: 3-fluoro-5-hexylsulfonyl-4-methyl-benzoic acid CAS Name: 3-fluoro-5-hexylsulfonyl-4-methylbenzoic acid IUPAC Name: 3-fluoro-5-hexylsulfonyl-4-methylbenzoic acid Traditional Name: 3-fluoro-5-hexylsulfonyl-4-methyl-benzoic acid Formula: C14H19FO4S MolecularWeight: 302.361663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

InChI

InChI=1S/C14H19FO4S/c1-3-4-5-6-7-20(18,19)13-9-11(14(16)17)8-12(15)10(13)2/h8-9H,3-7H2,1-2H3,(H,16,17)