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

Systemtic Name: 1-[2-(phenylsulfonyl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(benzenesulfonyl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(benzenesulfonyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-(2-besylethyl)triazole-4-carboxylic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C11H11N3O4S/c15-11(16)10-8-14(13-12-10)6-7-19(17,18)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)