[2,4-bis(chloranyl)-3-methyl-phenyl] 1H-1,2,4-triazole-5-sulfonate

Systemtic Name: [2,4-bis(chloranyl)-3-methyl-phenyl] 1H-1,2,4-triazole-5-sulfonate Openeye Name: (2,4-dichloro-3-methyl-phenyl) 1H-1,2,4-triazole-5-sulfonate CAS Name: 1H-1,2,4-triazole-5-sulfonic acid (2,4-dichloro-3-methylphenyl) ester IUPAC Name: (2,4-dichloro-3-methylphenyl) 1H-1,2,4-triazole-5-sulfonate Traditional Name: 1H-1,2,4-triazole-5-sulfonic acid (2,4-dichloro-3-methyl-phenyl) ester Formula: C9H7Cl2N3O3S MolecularWeight: 308.14118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)OS(=O)(=O)C2=NC=NN2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1Cl)OS(=O)(=O)C2=NC=NN2)Cl

InChI

InChI=1S/C9H7Cl2N3O3S/c1-5-6(10)2-3-7(8(5)11)17-18(15,16)9-12-4-13-14-9/h2-4H,1H3,(H,12,13,14)