[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride

Systemtic Name: [3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]ammonium chloride CAS Name: [3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]azanium chloride Traditional Name: (2-hydroxy-2-keto-1-protocatechuyl-ethyl)ammonium chloride Formula: C9H12ClNO4 MolecularWeight: 233.64888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)[NH3+])O)O.[Cl-]

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)[NH3+])O)O.[Cl-]

InChI

InChI=1S/C9H11NO4.ClH/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5;/h1-2,4,6,11-12H,3,10H2,(H,13,14);1H