[4-(3-oxidanylidenebutyl)phenyl] 5-fluoranyl-2-methyl-benzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 5-fluoranyl-2-methyl-benzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 5-fluoro-2-methyl-benzenesulfonate CAS Name: 5-fluoro-2-methylbenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 5-fluoro-2-methylbenzenesulfonate Traditional Name: 5-fluoro-2-methyl-benzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C17H17FO4S MolecularWeight: 336.377883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)OC2=CC=C(C=C2)CCC(=O)C

InChI

InChI=1S/C17H17FO4S/c1-12-3-8-15(18)11-17(12)23(20,21)22-16-9-6-14(7-10-16)5-4-13(2)19/h3,6-11H,4-5H2,1-2H3