7,7,8,8,8-pentakis(fluoranyl)octyl 4-methylbenzenesulfonate

Systemtic Name: 7,7,8,8,8-pentakis(fluoranyl)octyl 4-methylbenzenesulfonate Openeye Name: 7,7,8,8,8-pentafluorooctyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 7,7,8,8,8-pentafluorooctyl ester IUPAC Name: 7,7,8,8,8-pentafluorooctyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 7,7,8,8,8-pentafluorooctyl ester Formula: C15H19F5O3S MolecularWeight: 374.366576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC(C(F)(F)F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCC(C(F)(F)F)(F)F

InChI

InChI=1S/C15H19F5O3S/c1-12-6-8-13(9-7-12)24(21,22)23-11-5-3-2-4-10-14(16,17)15(18,19)20/h6-9H,2-5,10-11H2,1H3