(2,4,6-trimethylphenyl) 1H-1,2,4-triazole-5-sulfonate

Systemtic Name: (2,4,6-trimethylphenyl) 1H-1,2,4-triazole-5-sulfonate Openeye Name: (2,4,6-trimethylphenyl) 1H-1,2,4-triazole-5-sulfonate CAS Name: 1H-1,2,4-triazole-5-sulfonic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 1H-1,2,4-triazole-5-sulfonate Traditional Name: 1H-1,2,4-triazole-5-sulfonic acid mesityl ester Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=NC=NN2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OS(=O)(=O)C2=NC=NN2)C

InChI

InChI=1S/C11H13N3O3S/c1-7-4-8(2)10(9(3)5-7)17-18(15,16)11-12-6-13-14-11/h4-6H,1-3H3,(H,12,13,14)