methyl 5-(3-methylbutanoylamino)-2-(trifluoromethylperoxysulfanyloxy)benzoate

Systemtic Name: methyl 5-(3-methylbutanoylamino)-2-(trifluoromethylperoxysulfanyloxy)benzoate Openeye Name: methyl 5-(3-methylbutanoylamino)-2-(trifluoromethylperoxysulfanyloxy)benzoate CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-2-(trifluoromethyldioxythio)oxybenzoic acid methyl ester IUPAC Name: methyl 5-(3-methylbutanoylamino)-2-(trifluoromethylperoxysulfanyloxy)benzoate Traditional Name: 5-(isovalerylamino)-2-(trifluoromethylperoxythio)oxy-benzoic acid methyl ester Formula: C14H16F3NO6S MolecularWeight: 383.34015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)OSOOC(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)OSOOC(F)(F)F)C(=O)OC

InChI

InChI=1S/C14H16F3NO6S/c1-8(2)6-12(19)18-9-4-5-11(10(7-9)13(20)21-3)22-25-24-23-14(15,16)17/h4-5,7-8H,6H2,1-3H3,(H,18,19)