4-[(1R)-2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; sulfuric acid

Systemtic Name: 4-[(1R)-2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenol; sulfuric acid Openeye Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenol; sulfuric acid CAS Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; sulfuric acid IUPAC Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol; sulfuric acid Traditional Name: 4-[(1R)-2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-phenol; sulfuric acid Formula: C26H44N2O10S MolecularWeight: 576.69996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O

Isomeric SMILES

CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)O

InChI

InChI=1S/2C13H21NO3.H2O4S/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h2*4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)/t2*12-;/m00./s1