5-fluoranylpentyl 4-methylbenzenesulfonate

Systemtic Name: 5-fluoranylpentyl 4-methylbenzenesulfonate Openeye Name: 5-fluoropentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-fluoropentyl ester IUPAC Name: 5-fluoropentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-fluoropentyl ester Formula: C12H17FO3S MolecularWeight: 260.324983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FO3S/c1-11-5-7-12(8-6-11)17(14,15)16-10-4-2-3-9-13/h5-8H,2-4,9-10H2,1H3