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

Systemtic Name: 1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-methyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]-5-methyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-[3,4-diacetyloxy-5-(acetyloxymethyl)-2-oxolanyl]-5-methyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]-5-methyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]-5-methyl-1,2,4-triazole-3-carboxylic acid Formula: C15H19N3O9 MolecularWeight: 385.32606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)O

Isomeric SMILES

CC1=NC(=NN1C2C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)O

InChI

InChI=1S/C15H19N3O9/c1-6-16-13(15(22)23)17-18(6)14-12(26-9(4)21)11(25-8(3)20)10(27-14)5-24-7(2)19/h10-12,14H,5H2,1-4H3,(H,22,23)