3-fluoranyl-4-methyl-5-(3-methylbutylsulfonyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(3-methylbutylsulfonyl)benzoic acid Openeye Name: 3-fluoro-5-isopentylsulfonyl-4-methyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-(3-methylbutylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(3-methylbutylsulfonyl)benzoic acid Traditional Name: 3-fluoro-5-isoamylsulfonyl-4-methyl-benzoic acid Formula: C13H17FO4S MolecularWeight: 288.335083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CCC(C)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CCC(C)C)C(=O)O)F

InChI

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