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

Systemtic Name: 3-fluoranyl-4-methyl-5-(oxan-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-(2-oxanylmethylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(oxan-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(tetrahydropyran-2-ylmethylsulfonyl)benzoic acid Formula: C14H17FO5S MolecularWeight: 316.345183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2CCCCO2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2CCCCO2)C(=O)O)F

InChI

InChI=1S/C14H17FO5S/c1-9-12(15)6-10(14(16)17)7-13(9)21(18,19)8-11-4-2-3-5-20-11/h6-7,11H,2-5,8H2,1H3,(H,16,17)