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

Systemtic Name: 3-(cyclopropylmethylsulfonyl)-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-(cyclopropylmethylsulfonyl)-5-fluoro-4-methyl-benzoic acid CAS Name: 3-(cyclopropylmethylsulfonyl)-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-(cyclopropylmethylsulfonyl)-5-fluoro-4-methylbenzoic acid Traditional Name: 3-(cyclopropylmethylsulfonyl)-5-fluoro-4-methyl-benzoic acid Formula: C12H13FO4S MolecularWeight: 272.292623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2CC2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2CC2)C(=O)O)F

InChI

InChI=1S/C12H13FO4S/c1-7-10(13)4-9(12(14)15)5-11(7)18(16,17)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,14,15)