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

Systemtic Name: 2-[3-oxidanyl-4-(1,2,4-triazol-1-yl)butoxy]propanedioic acid Openeye Name: 2-[3-hydroxy-4-(1,2,4-triazol-1-yl)butoxy]propanedioic acid CAS Name: 2-[3-hydroxy-4-(1,2,4-triazol-1-yl)butoxy]propanedioic acid IUPAC Name: 2-[3-hydroxy-4-(1,2,4-triazol-1-yl)butoxy]propanedioic acid Traditional Name: 2-[3-hydroxy-4-(1,2,4-triazol-1-yl)butoxy]malonic acid Formula: C9H13N3O6 MolecularWeight: 259.21602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O6/c13-6(3-12-5-10-4-11-12)1-2-18-7(8(14)15)9(16)17/h4-7,13H,1-3H2,(H,14,15)(H,16,17)