[2-[3,5-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-tert-butyl-azanium sulfate

Systemtic Name: [2-[3,5-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-tert-butyl-azanium sulfate Openeye Name: tert-butyl-[2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]ammonium sulfate CAS Name: tert-butyl-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]ammonium sulfate IUPAC Name: tert-butyl-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]azanium sulfate Traditional Name: tert-butyl-[2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]ammonium sulfate Formula: C24H40N2O10S MolecularWeight: 548.6468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)