1-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfonylethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfonylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-ethoxy-2-oxo-ethyl)sulfonylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2-ethoxy-2-oxoethyl)sulfonylethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-ethoxy-2-oxoethyl)sulfonylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-ethoxy-2-keto-ethyl)sulfonylethyl]triazole-4-carboxylic acid Formula: C9H13N3O6S MolecularWeight: 291.28102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS(=O)(=O)CCN1C=C(N=N1)C(=O)O

Isomeric SMILES

CCOC(=O)CS(=O)(=O)CCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C9H13N3O6S/c1-2-18-8(13)6-19(16,17)4-3-12-5-7(9(14)15)10-11-12/h5H,2-4,6H2,1H3,(H,14,15)