2-[8-(trifluoromethylsulfonyloxy)naphthalen-2-yl]ethynyl 5,5-dimethylcyclohex-3-ene-1-carboxylate

Systemtic Name: 2-[8-(trifluoromethylsulfonyloxy)naphthalen-2-yl]ethynyl 5,5-dimethylcyclohex-3-ene-1-carboxylate Openeye Name: 2-[8-(trifluoromethylsulfonyloxy)-2-naphthyl]ethynyl 5,5-dimethylcyclohex-3-ene-1-carboxylate CAS Name: 5,5-dimethyl-1-cyclohex-3-enecarboxylic acid 2-[8-(trifluoromethylsulfonyloxy)-2-naphthalenyl]ethynyl ester IUPAC Name: 2-[8-(trifluoromethylsulfonyloxy)naphthalen-2-yl]ethynyl 5,5-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: 5,5-dimethylcyclohex-3-ene-1-carboxylic acid 2-(8-triflyloxy-2-naphthyl)ethynyl ester Formula: C22H19F3O5S MolecularWeight: 452.44347

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC=C1)C(=O)OC#CC2=CC3=C(C=CC=C3OS(=O)(=O)C(F)(F)F)C=C2)C

Isomeric SMILES

CC1(CC(CC=C1)C(=O)OC#CC2=CC3=C(C=CC=C3OS(=O)(=O)C(F)(F)F)C=C2)C

InChI

InChI=1S/C22H19F3O5S/c1-21(2)11-4-6-17(14-21)20(26)29-12-10-15-8-9-16-5-3-7-19(18(16)13-15)30-31(27,28)22(23,24)25/h3-5,7-9,11,13,17H,6,14H2,1-2H3