1-[2-(4-methylphenyl)sulfonylethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(4-methylphenyl)sulfonylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(p-tolylsulfonyl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(4-methylphenyl)sulfonylethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(4-methylphenyl)sulfonylethyl]triazole-4-carboxylic acid Traditional Name: 1-(2-tosylethyl)triazole-4-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=C(N=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C12H13N3O4S/c1-9-2-4-10(5-3-9)20(18,19)7-6-15-8-11(12(16)17)13-14-15/h2-5,8H,6-7H2,1H3,(H,16,17)