3-[(E)-but-2-enyl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[(E)-but-2-enyl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-[(E)-but-2-enyl]sulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-[(E)-but-2-enyl]sulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[(E)-but-2-enyl]sulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-[(E)-but-2-enyl]sulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C12H13FO4S MolecularWeight: 272.292623

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

Isomeric SMILES

C/C=C/CS(=O)(=O)C1=CC(=CC(=C1C)F)C(=O)O

InChI

InChI=1S/C12H13FO4S/c1-3-4-5-18(16,17)11-7-9(12(14)15)6-10(13)8(11)2/h3-4,6-7H,5H2,1-2H3,(H,14,15)/b4-3+