1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxylic acid CAS Name: 1-[3,4-diacetyloxy-5-(acetyloxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxylic acid Formula: C14H17N3O9 MolecularWeight: 371.29948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(C(O1)N2C=NC(=N2)C(=O)O)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OCC1C(C(C(O1)N2C=NC(=N2)C(=O)O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C14H17N3O9/c1-6(18)23-4-9-10(24-7(2)19)11(25-8(3)20)13(26-9)17-5-15-12(16-17)14(21)22/h5,9-11,13H,4H2,1-3H3,(H,21,22)