4-[5,6-bis(chloranyl)-2,3-dimethyl-benzimidazol-3-ium-1-yl]butane-1-sulfonate

Systemtic Name: 4-[5,6-bis(chloranyl)-2,3-dimethyl-benzimidazol-3-ium-1-yl]butane-1-sulfonate Openeye Name: 4-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)butane-1-sulfonate CAS Name: 4-(5,6-dichloro-2,3-dimethyl-1-benzimidazol-3-iumyl)-1-butanesulfonate IUPAC Name: 4-(5,6-dichloro-2,3-dimethylbenzimidazol-3-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(5,6-dichloro-2,3-dimethyl-benzimidazol-3-ium-1-yl)butane-1-sulfonate Formula: C13H16Cl2N2O3S MolecularWeight: 351.24874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2N1CCCCS(=O)(=O)[O-])Cl)Cl)C

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2N1CCCCS(=O)(=O)[O-])Cl)Cl)C

InChI

InChI=1S/C13H16Cl2N2O3S/c1-9-16(2)12-7-10(14)11(15)8-13(12)17(9)5-3-4-6-21(18,19)20/h7-8H,3-6H2,1-2H3