4-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; methanesulfonate

Systemtic Name: 4-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; methanesulfonate Openeye Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]benzene-1,2-diol; methanesulfonate CAS Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol; methanesulfonate IUPAC Name: 4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol; methanesulfonate Traditional Name: 4-[2-(tert-butylamino)-1-hydroxy-ethyl]pyrocatechol mesylate Formula: C13H22NO6S- MolecularWeight: 320.38188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C=C1)O)O)O.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)NCC(C1=CC(=C(C=C1)O)O)O.CS(=O)(=O)[O-]

InChI

InChI=1S/C12H19NO3.CH4O3S/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;1-5(2,3)4/h4-6,11,13-16H,7H2,1-3H3;1H3,(H,2,3,4)/p-1