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(5-methyl-2-propan-2-yl-cyclohexyl) 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate

(5-methyl-2-propan-2-yl-cyclohexyl) 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate

Systemtic Name:(5-methyl-2-propan-2-yl-cyclohexyl) 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate
Openeye Name:(2-isopropyl-5-methyl-cyclohexyl) 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate
CAS Name:4-phenyl-2-(trifluoromethylsulfonyloxy)butanoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester
IUPAC Name:(5-methyl-2-propan-2-ylcyclohexyl) 4-phenyl-2-(trifluoromethylsulfonyloxy)butanoate
Traditional Name:4-phenyl-2-triflyloxy-butyric acid (2-isopropyl-5-methyl-cyclohexyl) ester
Formula: C21H29F3O5S
MolecularWeight: 450.51217
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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)C(C)C


Isomeric SMILES

CC1CCC(C(C1)OC(=O)C(CCC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F)C(C)C


InChI

InChI=1S/C21H29F3O5S/c1-14(2)17-11-9-15(3)13-19(17)28-20(25)18(29-30(26,27)21(22,23)24)12-10-16-7-5-4-6-8-16/h4-8,14-15,17-19H,9-13H2,1-3H3


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