4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-methylsulfinyl-phenol; methanesulfonic acid

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-methylsulfinyl-phenol; methanesulfonic acid Openeye Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylsulfinyl-phenol; methanesulfonic acid CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylsulfinylphenol; methanesulfonic acid IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylsulfinylphenol; methanesulfonic acid Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylsulfinyl-phenol; mesylic acid Formula: C14H25NO6S2 MolecularWeight: 367.4814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C=C1)O)S(=O)C)O.CS(=O)(=O)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C=C1)O)S(=O)C)O.CS(=O)(=O)O

InChI

InChI=1S/C13H21NO3S.CH4O3S/c1-13(2,3)14-8-11(16)9-5-6-10(15)12(7-9)18(4)17;1-5(2,3)4/h5-7,11,14-16H,8H2,1-4H3;1H3,(H,2,3,4)