tert-butyl-[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium; hydrogen sulfate

Systemtic Name: tert-butyl-[(2R)-2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium; hydrogen sulfate Openeye Name: tert-butyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium; hydrogen sulfate CAS Name: tert-butyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium; hydrogen sulfate IUPAC Name: tert-butyl-[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]azanium; hydrogen sulfate Traditional Name: tert-butyl-[(2R)-2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]ammonium bisulfate Formula: C13H23NO7S MolecularWeight: 337.38922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)[NH2+]C[C@@H](C1=CC(=C(C=C1)O)CO)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C13H21NO3.H2O4S/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)/t12-;/m0./s1