ethyl 4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]benzoate CAS Name: 4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]benzoate Traditional Name: 4-[2-(8,8-dimethyl-5-triflyloxy-7H-naphthalen-2-yl)ethynyl]benzoic acid ethyl ester Formula: C24H21F3O5S MolecularWeight: 478.48075

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=CCC3(C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=CCC3(C)C)OS(=O)(=O)C(F)(F)F

InChI

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