2-[4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]-2-fluoranyl-phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]-2-fluoranyl-phenyl]ethanoic acid Openeye Name: 2-[4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]-2-fluoro-phenyl]acetic acid CAS Name: 2-[4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]-2-fluorophenyl]acetic acid IUPAC Name: 2-[4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]-2-fluorophenyl]acetic acid Traditional Name: 2-[4-[2-(8,8-dimethyl-5-triflyloxy-7H-naphthalen-2-yl)ethynyl]-2-fluoro-phenyl]acetic acid Formula: C23H18F4O5S MolecularWeight: 482.444633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=C(C=C2)C#CC3=CC(=C(C=C3)CC(=O)O)F)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CC=C(C2=C1C=C(C=C2)C#CC3=CC(=C(C=C3)CC(=O)O)F)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C23H18F4O5S/c1-22(2)10-9-20(32-33(30,31)23(25,26)27)17-8-6-14(11-18(17)22)3-4-15-5-7-16(13-21(28)29)19(24)12-15/h5-9,11-12H,10,13H2,1-2H3,(H,28,29)