1-[2-(3-methylsulfonylphenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(3-methylsulfonylphenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(3-methylsulfonylphenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(3-methylsulfonylphenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(3-methylsulfonylphenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(3-mesylphenoxy)ethyl]triazole-4-carboxylic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)OCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)OCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H13N3O5S/c1-21(18,19)10-4-2-3-9(7-10)20-6-5-15-8-11(12(16)17)13-14-15/h2-4,7-8H,5-6H2,1H3,(H,16,17)