2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-8H-naphthalen-2-yl]ethynyl benzoate

Systemtic Name: 2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-8H-naphthalen-2-yl]ethynyl benzoate Openeye Name: 2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-8H-naphthalen-2-yl]ethynyl benzoate CAS Name: benzoic acid 2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-8H-naphthalen-2-yl]ethynyl ester IUPAC Name: 2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-8H-naphthalen-2-yl]ethynyl benzoate Traditional Name: benzoic acid 2-(5,5-dimethyl-8-triflyloxy-8H-naphthalen-2-yl)ethynyl ester Formula: C22H17F3O5S MolecularWeight: 450.42759

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(C=CC(C2=C1C=CC(=C2)C#COC(=O)C3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C22H17F3O5S/c1-21(2)12-10-19(30-31(27,28)22(23,24)25)17-14-15(8-9-18(17)21)11-13-29-20(26)16-6-4-3-5-7-16/h3-10,12,14,19H,1-2H3