4-fluoranyl-3-hexylsulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-hexylsulfonyl-benzoic acid Openeye Name: 4-fluoro-3-hexylsulfonyl-benzoic acid CAS Name: 4-fluoro-3-hexylsulfonylbenzoic acid IUPAC Name: 4-fluoro-3-hexylsulfonylbenzoic acid Traditional Name: 4-fluoro-3-hexylsulfonyl-benzoic acid Formula: C13H17FO4S MolecularWeight: 288.335083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FO4S/c1-2-3-4-5-8-19(17,18)12-9-10(13(15)16)6-7-11(12)14/h6-7,9H,2-5,8H2,1H3,(H,15,16)