2-(4-methylphenyl)sulfonyl-5-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-5-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid Openeye Name: 2-(p-tolylsulfonyl)-5-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid CAS Name: 2-(4-methylphenyl)sulfonyl-5-[3-(trifluoromethyl)phenyl]-4-pentynoic acid IUPAC Name: 2-(4-methylphenyl)sulfonyl-5-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid Traditional Name: 2-tosyl-5-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid Formula: C19H15F3O4S MolecularWeight: 396.38021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC#CC2=CC(=CC=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC#CC2=CC(=CC=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H15F3O4S/c1-13-8-10-16(11-9-13)27(25,26)17(18(23)24)7-3-5-14-4-2-6-15(12-14)19(20,21)22/h2,4,6,8-12,17H,7H2,1H3,(H,23,24)