3-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[5,6-bis(chloranyl)-2-methyl-3-octyl-benzimidazol-1-ium-1-yl]propane-1-sulfonate Openeye Name: 3-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(5,6-dichloro-2-methyl-3-octyl-1-benzimidazol-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(5,6-dichloro-2-methyl-3-octylbenzimidazol-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(5,6-dichloro-2-methyl-3-octyl-benzimidazol-1-ium-1-yl)propane-1-sulfonate Formula: C19H28Cl2N2O3S MolecularWeight: 435.40822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CCCCCCCCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C19H28Cl2N2O3S/c1-3-4-5-6-7-8-10-22-15(2)23(11-9-12-27(24,25)26)19-14-17(21)16(20)13-18(19)22/h13-14H,3-12H2,1-2H3