5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol; 2-methylpropanoic acid; hydrochloride

Systemtic Name: 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol; 2-methylpropanoic acid; hydrochloride Openeye Name: 5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzene-1,3-diol; 2-methylpropanoic acid; hydrochloride CAS Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol; 2-methylpropanoic acid; hydrochloride IUPAC Name: 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol; 2-methylpropanoic acid; hydrochloride Traditional Name: 5-[2-(tert-butylamino)-1-hydroxy-ethyl]resorcinol; isobutyric acid; hydrochloride Formula: C16H28ClNO5 MolecularWeight: 349.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.Cl

Isomeric SMILES

CC(C)C(=O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.Cl

InChI

InChI=1S/C12H19NO3.C4H8O2.ClH/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-3(2)4(5)6;/h4-6,11,13-16H,7H2,1-3H3;3H,1-2H3,(H,5,6);1H