5-[4-(trifluoromethyloxy)phenyl]pent-4-ynyl methanesulfonate

Systemtic Name: 5-[4-(trifluoromethyloxy)phenyl]pent-4-ynyl methanesulfonate Openeye Name: 5-[4-(trifluoromethoxy)phenyl]pent-4-ynyl methanesulfonate CAS Name: methanesulfonic acid 5-[4-(trifluoromethoxy)phenyl]pent-4-ynyl ester IUPAC Name: 5-[4-(trifluoromethoxy)phenyl]pent-4-ynyl methanesulfonate Traditional Name: methanesulfonic acid 5-[4-(trifluoromethoxy)phenyl]pent-4-ynyl ester Formula: C13H13F3O4S MolecularWeight: 322.30013

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCC#CC1=CC=C(C=C1)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)OCCCC#CC1=CC=C(C=C1)OC(F)(F)F

InChI

InChI=1S/C13H13F3O4S/c1-21(17,18)19-10-4-2-3-5-11-6-8-12(9-7-11)20-13(14,15)16/h6-9H,2,4,10H2,1H3