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

Systemtic Name: 3-(3-cyanopropylsulfonyl)-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-(3-cyanopropylsulfonyl)-5-fluoro-4-methyl-benzoic acid CAS Name: 3-(3-cyanopropylsulfonyl)-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-(3-cyanopropylsulfonyl)-5-fluoro-4-methylbenzoic acid Traditional Name: 3-(3-cyanopropylsulfonyl)-5-fluoro-4-methyl-benzoic acid Formula: C12H12FNO4S MolecularWeight: 285.291383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CCCC#N)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CCCC#N)C(=O)O)F

InChI

InChI=1S/C12H12FNO4S/c1-8-10(13)6-9(12(15)16)7-11(8)19(17,18)5-3-2-4-14/h6-7H,2-3,5H2,1H3,(H,15,16)