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

Systemtic Name: methyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H19F3O5S MolecularWeight: 464.45417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19F3O5S/c1-22(2)13-12-20(31-32(28,29)23(24,25)26)18-14-16(8-11-19(18)22)5-4-15-6-9-17(10-7-15)21(27)30-3/h6-12,14H,13H2,1-3H3