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

Systemtic Name: (2,4,6-trimethylphenyl) 1,2,4-triazole-1-sulfonate Openeye Name: (2,4,6-trimethylphenyl) 1,2,4-triazole-1-sulfonate CAS Name: 1,2,4-triazole-1-sulfonic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 1,2,4-triazole-1-sulfonate Traditional Name: 1,2,4-triazole-1-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)N2C=NC=N2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OS(=O)(=O)N2C=NC=N2)C

InChI

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