ethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-(5,5-dimethyl-8-triflyloxy-6H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester Formula: C24H21F3O5S MolecularWeight: 478.48075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21F3O5S/c1-4-31-22(28)18-10-7-16(8-11-18)5-6-17-9-12-20-19(15-17)21(13-14-23(20,2)3)32-33(29,30)24(25,26)27/h7-13,15H,4,14H2,1-3H3