2-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-5-(trifluoromethyl)benzoic acid Openeye Name: 2-(1-carboxy-2-methyl-propyl)sulfanyl-5-(trifluoromethyl)benzoic acid CAS Name: 2-[(1-hydroxy-3-methyl-1-oxobutan-2-yl)thio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-(1-hydroxy-3-methyl-1-oxobutan-2-yl)sulfanyl-5-(trifluoromethyl)benzoic acid Traditional Name: 2-[(1-carboxy-2-methyl-propyl)thio]-5-(trifluoromethyl)benzoic acid Formula: C13H13F3O4S MolecularWeight: 322.30013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)C(C(=O)O)SC1=C(C=C(C=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H13F3O4S/c1-6(2)10(12(19)20)21-9-4-3-7(13(14,15)16)5-8(9)11(17)18/h3-6,10H,1-2H3,(H,17,18)(H,19,20)