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

Systemtic Name: 5-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-pent-4-ynoic acid Openeye Name: 5-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-pent-4-ynoic acid CAS Name: 5-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-4-pentynoic acid IUPAC Name: 5-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonylpent-4-ynoic acid Traditional Name: 5-phenyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-pent-4-ynoic acid Formula: C18H13F3O4S MolecularWeight: 382.35363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CCC(C(=O)O)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C#CCC(C(=O)O)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H13F3O4S/c19-18(20,21)14-9-5-10-15(12-14)26(24,25)16(17(22)23)11-4-8-13-6-2-1-3-7-13/h1-3,5-7,9-10,12,16H,11H2,(H,22,23)