4-[5,6-bis(chloranyl)-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[5,6-bis(chloranyl)-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl]butane-1-sulfonic acid Openeye Name: 4-(5,6-dichloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(5,6-dichloro-2-methyl-3-phenyl-1-benzimidazol-1-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(5,6-dichloro-2-methyl-3-phenylbenzimidazol-1-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(5,6-dichloro-2-methyl-3-phenyl-benzimidazol-1-ium-1-yl)butane-1-sulfonic acid Formula: C18H19Cl2N2O3S+ MolecularWeight: 414.32606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2N1C3=CC=CC=C3)Cl)Cl)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2N1C3=CC=CC=C3)Cl)Cl)CCCCS(=O)(=O)O

InChI

InChI=1S/C18H18Cl2N2O3S/c1-13-21(9-5-6-10-26(23,24)25)17-11-15(19)16(20)12-18(17)22(13)14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3/p+1