tert-butylbenzene; 3-methyl-3-(trifluoromethylsulfonylamino)butanoic acid

Systemtic Name: tert-butylbenzene; 3-methyl-3-(trifluoromethylsulfonylamino)butanoic acid Openeye Name: tert-butylbenzene; 3-methyl-3-(trifluoromethylsulfonylamino)butanoic acid CAS Name: tert-butylbenzene; 3-methyl-3-(trifluoromethylsulfonylamino)butanoic acid IUPAC Name: tert-butylbenzene; 3-methyl-3-(trifluoromethylsulfonylamino)butanoic acid Traditional Name: tert-butylbenzene; 3-methyl-3-(triflylamino)butyric acid Formula: C16H24F3NO4S MolecularWeight: 383.42627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1.CC(C)(CC(=O)O)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1.CC(C)(CC(=O)O)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H14.C6H10F3NO4S/c1-10(2,3)9-7-5-4-6-8-9;1-5(2,3-4(11)12)10-15(13,14)6(7,8)9/h4-8H,1-3H3;10H,3H2,1-2H3,(H,11,12)