[3-[3-(2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [3-[3-(2-azaniumyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [1-[[3-(2-azaniumyl-3-hydroxy-3-oxo-propyl)phenyl]methyl]-2-hydroxy-2-oxo-ethyl]ammonium CAS Name: [3-[3-(2-ammonio-3-hydroxy-3-oxopropyl)phenyl]-1-hydroxy-1-oxopropan-2-yl]ammonium IUPAC Name: [3-[3-(2-azaniumyl-3-hydroxy-3-oxopropyl)phenyl]-1-hydroxy-1-oxopropan-2-yl]azanium Traditional Name: [1-[3-(2-ammonio-3-hydroxy-3-keto-propyl)benzyl]-2-hydroxy-2-keto-ethyl]ammonium Formula: C12H18N2O4+2 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(C(=O)O)[NH3+])CC(C(=O)O)[NH3+]

Isomeric SMILES

C1=CC(=CC(=C1)CC(C(=O)O)[NH3+])CC(C(=O)O)[NH3+]

InChI

InChI=1S/C12H16N2O4/c13-9(11(15)16)5-7-2-1-3-8(4-7)6-10(14)12(17)18/h1-4,9-10H,5-6,13-14H2,(H,15,16)(H,17,18)/p+2