[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-tert-butyl-azanium ethanoate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-tert-butyl-azanium ethanoate Openeye Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonium acetate CAS Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]ammonium acetate IUPAC Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azanium acetate Traditional Name: tert-butyl-[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]ammonium acetate Formula: C14H23NO5 MolecularWeight: 285.33612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO3.C2H4O2/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;1-2(3)4/h4-6,11,13-16H,7H2,1-3H3;1H3,(H,3,4)