2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoic acid

Systemtic Name: 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoic acid Openeye Name: 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoic acid CAS Name: 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoic acid IUPAC Name: 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoic acid Traditional Name: 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propionic acid Formula: C9H16N3O5P MolecularWeight: 277.214201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CN1C=NC=N1)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(C(CN1C=NC=N1)C(=O)O)OCC

InChI

InChI=1S/C9H16N3O5P/c1-3-16-18(15,17-4-2)8(9(13)14)5-12-7-10-6-11-12/h6-8H,3-5H2,1-2H3,(H,13,14)