(phenylmethyl) 6-methyl-2-(trifluoromethylsulfonyloxy)heptanoate

Systemtic Name: (phenylmethyl) 6-methyl-2-(trifluoromethylsulfonyloxy)heptanoate Openeye Name: benzyl 6-methyl-2-(trifluoromethylsulfonyloxy)heptanoate CAS Name: 6-methyl-2-(trifluoromethylsulfonyloxy)heptanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-2-(trifluoromethylsulfonyloxy)heptanoate Traditional Name: 6-methyl-2-triflyloxy-enanthic acid benzyl ester Formula: C16H21F3O5S MolecularWeight: 382.39515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C(=O)OCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)CCCC(C(=O)OCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H21F3O5S/c1-12(2)7-6-10-14(24-25(21,22)16(17,18)19)15(20)23-11-13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3