(2-fluoranyl-6-propyl-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (2-fluoranyl-6-propyl-phenyl) 4-methylbenzenesulfonate Openeye Name: (2-fluoro-6-propyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-fluoro-6-propylphenyl) ester IUPAC Name: (2-fluoro-6-propylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-fluoro-6-propyl-phenyl) ester Formula: C16H17FO3S MolecularWeight: 308.367783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)F)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC1=C(C(=CC=C1)F)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H17FO3S/c1-3-5-13-6-4-7-15(17)16(13)20-21(18,19)14-10-8-12(2)9-11-14/h4,6-11H,3,5H2,1-2H3