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

Systemtic Name: 3-fluoranyl-4-methyl-5-pentylsulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-pentylsulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-pentylsulfonylbenzoic acid IUPAC Name: 3-fluoro-4-methyl-5-pentylsulfonylbenzoic acid Traditional Name: 3-amylsulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C13H17FO4S MolecularWeight: 288.335083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FO4S/c1-3-4-5-6-19(17,18)12-8-10(13(15)16)7-11(14)9(12)2/h7-8H,3-6H2,1-2H3,(H,15,16)