1-[2-(3-methoxy-3-oxidanylidene-propyl)sulfonylethyl]-1,2,3-triazole-4-carboxylic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCS(=O)(=O)CCN1C=C(N=N1)C(=O)O

Isomeric SMILES

COC(=O)CCS(=O)(=O)CCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C9H13N3O6S/c1-18-8(13)2-4-19(16,17)5-3-12-6-7(9(14)15)10-11-12/h6H,2-5H2,1H3,(H,14,15)