[4-[(1R)-2-(tert-butylazaniumyl)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenyl] sulfate

Systemtic Name: [4-[(1R)-2-(tert-butylazaniumyl)-1-oxidanyl-ethyl]-2-(hydroxymethyl)phenyl] sulfate Openeye Name: [4-[(1R)-2-(tert-butylammonio)-1-hydroxy-ethyl]-2-(hydroxymethyl)phenyl] sulfate CAS Name: [4-[(1R)-2-(tert-butylammonio)-1-hydroxyethyl]-2-(hydroxymethyl)phenyl] sulfate IUPAC Name: [4-[(1R)-2-(tert-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenyl] sulfate Traditional Name: [4-[(1R)-2-(tert-butylammonio)-1-hydroxy-ethyl]-2-methylol-phenyl] sulfate Formula: C13H21NO6S MolecularWeight: 319.37394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO6S/c1-13(2,3)14-7-11(16)9-4-5-12(10(6-9)8-15)20-21(17,18)19/h4-6,11,14-16H,7-8H2,1-3H3,(H,17,18,19)/t11-/m0/s1