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

Systemtic Name: 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonylpent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-pent-4-ynoic acid Formula: C18H12ClF3O4S MolecularWeight: 416.79869

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClF3O4S/c19-14-9-7-12(8-10-14)3-1-6-16(17(23)24)27(25,26)15-5-2-4-13(11-15)18(20,21)22/h2,4-5,7-11,16H,6H2,(H,23,24)