5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol sulfate

Systemtic Name: 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol sulfate Openeye Name: 5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzene-1,3-diol sulfate CAS Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol sulfate IUPAC Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol sulfate Traditional Name: 5-[2-(tert-butylamino)-1-hydroxy-ethyl]resorcinol sulfate Formula: C12H19NO7S-2 MolecularWeight: 321.34676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3.H2O4S/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)/p-2