[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C19H19FO5S MolecularWeight: 378.414563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCCCC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H19FO5S/c1-13-5-10-16(26(2,23)24)12-17(13)19(22)25-11-3-4-18(21)14-6-8-15(20)9-7-14/h5-10,12H,3-4,11H2,1-2H3