[4,4-bis(fluoranyl)-7-(4-methylphenyl)sulfonyloxy-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [4,4-bis(fluoranyl)-7-(4-methylphenyl)sulfonyloxy-heptyl] 4-methylbenzenesulfonate Openeye Name: [4,4-difluoro-7-(p-tolylsulfonyloxy)heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4,4-difluoro-7-(4-methylphenyl)sulfonyloxyheptyl] ester IUPAC Name: [4,4-difluoro-7-(4-methylphenyl)sulfonyloxyheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,4-difluoro-7-tosyloxy-heptyl) ester Formula: C21H26F2O6S2 MolecularWeight: 476.554346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(CCCOS(=O)(=O)C2=CC=C(C=C2)C)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC(CCCOS(=O)(=O)C2=CC=C(C=C2)C)(F)F

InChI

InChI=1S/C21H26F2O6S2/c1-17-5-9-19(10-6-17)30(24,25)28-15-3-13-21(22,23)14-4-16-29-31(26,27)20-11-7-18(2)8-12-20/h5-12H,3-4,13-16H2,1-2H3