methyl 2-[3-oxidanyl-4-[1-(trifluoromethylsulfonyloxy)naphthalen-2-yl]but-1-ynyl]benzoate

Systemtic Name: methyl 2-[3-oxidanyl-4-[1-(trifluoromethylsulfonyloxy)naphthalen-2-yl]but-1-ynyl]benzoate Openeye Name: methyl 2-[3-hydroxy-4-[1-(trifluoromethylsulfonyloxy)-2-naphthyl]but-1-ynyl]benzoate CAS Name: 2-[3-hydroxy-4-[1-(trifluoromethylsulfonyloxy)-2-naphthalenyl]but-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-hydroxy-4-[1-(trifluoromethylsulfonyloxy)naphthalen-2-yl]but-1-ynyl]benzoate Traditional Name: 2-[3-hydroxy-4-(1-triflyloxy-2-naphthyl)but-1-ynyl]benzoic acid methyl ester Formula: C23H17F3O6S MolecularWeight: 478.43769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CC(CC2=C(C3=CC=CC=C3C=C2)OS(=O)(=O)C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#CC(CC2=C(C3=CC=CC=C3C=C2)OS(=O)(=O)C(F)(F)F)O

InChI

InChI=1S/C23H17F3O6S/c1-31-22(28)20-9-5-3-7-16(20)12-13-18(27)14-17-11-10-15-6-2-4-8-19(15)21(17)32-33(29,30)23(24,25)26/h2-11,18,27H,14H2,1H3