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

Systemtic Name: [4-fluoranyl-7-(4-methylphenyl)sulfonyloxy-heptyl] 4-methylbenzenesulfonate Openeye Name: [4-fluoro-7-(p-tolylsulfonyloxy)heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-fluoro-7-(4-methylphenyl)sulfonyloxyheptyl] ester IUPAC Name: [4-fluoro-7-(4-methylphenyl)sulfonyloxyheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-fluoro-7-tosyloxy-heptyl) ester Formula: C21H27FO6S2 MolecularWeight: 458.563883

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H27FO6S2/c1-17-7-11-20(12-8-17)29(23,24)27-15-3-5-19(22)6-4-16-28-30(25,26)21-13-9-18(2)10-14-21/h7-14,19H,3-6,15-16H2,1-2H3