3-fluoranyl-4-methyl-5-(oxolan-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(oxolan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(tetrahydrofuran-2-ylmethylsulfonyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-(2-oxolanylmethylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(oxolan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(tetrahydrofurfurylsulfonyl)benzoic acid Formula: C13H15FO5S MolecularWeight: 302.318603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2CCCO2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2CCCO2)C(=O)O)F

InChI

InChI=1S/C13H15FO5S/c1-8-11(14)5-9(13(15)16)6-12(8)20(17,18)7-10-3-2-4-19-10/h5-6,10H,2-4,7H2,1H3,(H,15,16)