(2,2-dimethyl-3H-1-benzofuran-7-yl) 5-chloranyl-1-methyl-imidazole-4-sulfonate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 5-chloranyl-1-methyl-imidazole-4-sulfonate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) 5-chloro-1-methyl-imidazole-4-sulfonate CAS Name: 5-chloro-1-methyl-4-imidazolesulfonic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) 5-chloro-1-methylimidazole-4-sulfonate Traditional Name: 5-chloro-1-methyl-imidazole-4-sulfonic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C14H15ClN2O4S MolecularWeight: 342.7979

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=C(N(C=N3)C)Cl)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OS(=O)(=O)C3=C(N(C=N3)C)Cl)C

InChI

InChI=1S/C14H15ClN2O4S/c1-14(2)7-9-5-4-6-10(11(9)20-14)21-22(18,19)13-12(15)17(3)8-16-13/h4-6,8H,7H2,1-3H3