2-[2-oxidanyl-3-(1,2,4-triazol-1-yl)propoxy]propanedioic acid

Systemtic Name: 2-[2-oxidanyl-3-(1,2,4-triazol-1-yl)propoxy]propanedioic acid Openeye Name: 2-[2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]propanedioic acid CAS Name: 2-[2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]propanedioic acid IUPAC Name: 2-[2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]propanedioic acid Traditional Name: 2-[2-hydroxy-3-(1,2,4-triazol-1-yl)propoxy]malonic acid Formula: C8H11N3O6 MolecularWeight: 245.18944

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CC(COC(C(=O)O)C(=O)O)O

Isomeric SMILES

C1=NN(C=N1)CC(COC(C(=O)O)C(=O)O)O

InChI

InChI=1S/C8H11N3O6/c12-5(1-11-4-9-3-10-11)2-17-6(7(13)14)8(15)16/h3-6,12H,1-2H2,(H,13,14)(H,15,16)