3-but-3-ynylsulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-but-3-ynylsulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-but-3-ynylsulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-but-3-ynylsulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-but-3-ynylsulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-but-3-ynylsulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C12H11FO4S MolecularWeight: 270.276743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FO4S/c1-3-4-5-18(16,17)11-7-9(12(14)15)6-10(13)8(11)2/h1,6-7H,4-5H2,2H3,(H,14,15)