3-(4-ethanoyl-5-methyl-1,2,3-triazol-2-yl)benzenesulfonic acid

Systemtic Name: 3-(4-ethanoyl-5-methyl-1,2,3-triazol-2-yl)benzenesulfonic acid Openeye Name: 3-(4-acetyl-5-methyl-triazol-2-yl)benzenesulfonic acid CAS Name: 3-(4-acetyl-5-methyl-2-triazolyl)benzenesulfonic acid IUPAC Name: 3-(4-acetyl-5-methyltriazol-2-yl)benzenesulfonic acid Traditional Name: 3-(4-acetyl-5-methyl-triazol-2-yl)besylic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)C)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=NN(N=C1C(=O)C)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C11H11N3O4S/c1-7-11(8(2)15)13-14(12-7)9-4-3-5-10(6-9)19(16,17)18/h3-6H,1-2H3,(H,16,17,18)