[2-[3,5-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-propan-2-yl-azanium sulfate

Systemtic Name: [2-[3,5-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-propan-2-yl-azanium sulfate Openeye Name: [2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-isopropyl-ammonium sulfate CAS Name: [2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylammonium sulfate IUPAC Name: [2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylazanium sulfate Traditional Name: [2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-isopropyl-ammonium sulfate Formula: C22H36N2O10S MolecularWeight: 520.59364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)