(E)-4-methyl-3-oxidanylidene-2-sulfanyl-5-[2-(trifluoromethyl)phenyl]pent-4-enoic acid

Systemtic Name: (E)-4-methyl-3-oxidanylidene-2-sulfanyl-5-[2-(trifluoromethyl)phenyl]pent-4-enoic acid Openeye Name: (E)-4-methyl-3-oxo-2-sulfanyl-5-[2-(trifluoromethyl)phenyl]pent-4-enoic acid CAS Name: (E)-2-mercapto-4-methyl-3-oxo-5-[2-(trifluoromethyl)phenyl]-4-pentenoic acid IUPAC Name: (E)-4-methyl-3-oxo-2-sulfanyl-5-[2-(trifluoromethyl)phenyl]pent-4-enoic acid Traditional Name: (E)-3-keto-2-mercapto-4-methyl-5-[2-(trifluoromethyl)phenyl]pent-4-enoic acid Formula: C13H11F3O3S MolecularWeight: 304.28485

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1C(F)(F)F)C(=O)C(C(=O)O)S

Isomeric SMILES

C/C(=C\C1=CC=CC=C1C(F)(F)F)/C(=O)C(C(=O)O)S

InChI

InChI=1S/C13H11F3O3S/c1-7(10(17)11(20)12(18)19)6-8-4-2-3-5-9(8)13(14,15)16/h2-6,11,20H,1H3,(H,18,19)/b7-6+