4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-[2-(trifluoromethyl)phenyl]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylmethyl]-4-[2-(trifluoromethyl)phenyl]butanoic acid Openeye Name: 3-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylmethyl]-4-oxo-4-[2-(trifluoromethyl)phenyl]butanoic acid CAS Name: 3-[[(1-hydroxy-1-oxopropan-2-yl)thio]methyl]-4-oxo-4-[2-(trifluoromethyl)phenyl]butanoic acid IUPAC Name: 3-[(1-hydroxy-1-oxopropan-2-yl)sulfanylmethyl]-4-oxo-4-[2-(trifluoromethyl)phenyl]butanoic acid Traditional Name: 3-[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]methyl]-4-keto-4-[2-(trifluoromethyl)phenyl]butyric acid Formula: C15H15F3O5S MolecularWeight: 364.33681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(CC(=O)O)C(=O)C1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CC(C(=O)O)SCC(CC(=O)O)C(=O)C1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C15H15F3O5S/c1-8(14(22)23)24-7-9(6-12(19)20)13(21)10-4-2-3-5-11(10)15(16,17)18/h2-5,8-9H,6-7H2,1H3,(H,19,20)(H,22,23)