6-fluoranylhexyl 4-methylbenzenesulfonate

Systemtic Name: 6-fluoranylhexyl 4-methylbenzenesulfonate Openeye Name: 6-fluorohexyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 6-fluorohexyl ester IUPAC Name: 6-fluorohexyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 6-fluorohexyl ester Formula: C13H19FO3S MolecularWeight: 274.351563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCF

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCF

InChI

InChI=1S/C13H19FO3S/c1-12-6-8-13(9-7-12)18(15,16)17-11-5-3-2-4-10-14/h6-9H,2-5,10-11H2,1H3