[4-(1,3-dithiolan-2-yl)phenyl] 5-chloranyl-1-methyl-imidazole-4-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-chloranyl-1-methyl-imidazole-4-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-chloro-1-methyl-imidazole-4-sulfonate CAS Name: 5-chloro-1-methyl-4-imidazolesulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-chloro-1-methylimidazole-4-sulfonate Traditional Name: 5-chloro-1-methyl-imidazole-4-sulfonic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C13H13ClN2O3S3 MolecularWeight: 376.90192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1Cl)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CN1C=NC(=C1Cl)S(=O)(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C13H13ClN2O3S3/c1-16-8-15-12(11(16)14)22(17,18)19-10-4-2-9(3-5-10)13-20-6-7-21-13/h2-5,8,13H,6-7H2,1H3