3-fluoranyl-4-methyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(3-methylbut-2-enylsulfonyl)benzoic acid Formula: C13H15FO4S MolecularWeight: 286.319203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FO4S/c1-8(2)4-5-19(17,18)12-7-10(13(15)16)6-11(14)9(12)3/h4,6-7H,5H2,1-3H3,(H,15,16)