3-fluoranyl-4-methyl-5-propan-2-ylsulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-propan-2-ylsulfonyl-benzoic acid Openeye Name: 3-fluoro-5-isopropylsulfonyl-4-methyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-propan-2-ylsulfonylbenzoic acid IUPAC Name: 3-fluoro-4-methyl-5-propan-2-ylsulfonylbenzoic acid Traditional Name: 3-fluoro-5-isopropylsulfonyl-4-methyl-benzoic acid Formula: C11H13FO4S MolecularWeight: 260.281923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13FO4S/c1-6(2)17(15,16)10-5-8(11(13)14)4-9(12)7(10)3/h4-6H,1-3H3,(H,13,14)