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

Systemtic Name: [3-[3,4-bis(carboxymethyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium chloride Openeye Name: [1-[[3,4-bis(carboxymethyl)phenyl]methyl]-2-hydroxy-2-oxo-ethyl]ammonium chloride CAS Name: [3-[3,4-bis(carboxymethyl)phenyl]-1-hydroxy-1-oxopropan-2-yl]ammonium chloride IUPAC Name: [3-[3,4-bis(carboxymethyl)phenyl]-1-hydroxy-1-oxopropan-2-yl]azanium chloride Traditional Name: [1-[3,4-bis(carboxymethyl)benzyl]-2-hydroxy-2-keto-ethyl]ammonium chloride Formula: C13H16ClNO6 MolecularWeight: 317.72224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6.ClH/c14-10(13(19)20)4-7-1-2-8(5-11(15)16)9(3-7)6-12(17)18;/h1-3,10H,4-6,14H2,(H,15,16)(H,17,18)(H,19,20);1H