(2-butan-2-ylphenyl) 5-chloranyl-1-methyl-imidazole-4-sulfonate

Systemtic Name: (2-butan-2-ylphenyl) 5-chloranyl-1-methyl-imidazole-4-sulfonate Openeye Name: (2-sec-butylphenyl) 5-chloro-1-methyl-imidazole-4-sulfonate CAS Name: 5-chloro-1-methyl-4-imidazolesulfonic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 5-chloro-1-methylimidazole-4-sulfonate Traditional Name: 5-chloro-1-methyl-imidazole-4-sulfonic acid (2-sec-butylphenyl) ester Formula: C14H17ClN2O3S MolecularWeight: 328.81438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(N(C=N2)C)Cl

Isomeric SMILES

CCC(C)C1=CC=CC=C1OS(=O)(=O)C2=C(N(C=N2)C)Cl

InChI

InChI=1S/C14H17ClN2O3S/c1-4-10(2)11-7-5-6-8-12(11)20-21(18,19)14-13(15)17(3)9-16-14/h5-10H,4H2,1-3H3