[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-methyl-azanium; hydrogen sulfate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-methyl-azanium; hydrogen sulfate Openeye Name: [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-methyl-ammonium; hydrogen sulfate CAS Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-methylammonium; hydrogen sulfate IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-methylazanium; hydrogen sulfate Traditional Name: [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-methyl-ammonium bisulfate Formula: C9H15NO7S MolecularWeight: 281.2829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3.H2O4S/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-5(2,3)4/h2-4,9-13H,5H2,1H3;(H2,1,2,3,4)