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

Systemtic Name: tert-butyl-[2-[3-(hydroxymethyl)-4-oxidanyl-phenyl]-2-oxidanyl-ethyl]azanium sulfate Openeye Name: tert-butyl-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium sulfate CAS Name: tert-butyl-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]ammonium sulfate IUPAC Name: tert-butyl-[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]azanium sulfate Traditional Name: tert-butyl-[2-hydroxy-2-(4-hydroxy-3-methylol-phenyl)ethyl]ammonium sulfate Formula: C26H44N2O10S MolecularWeight: 576.69996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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