[2-[3-[5,6-bis(chloranyl)-1-ethyl-3-(sulfomethyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-yl]methanesulfonic acid

Systemtic Name: [2-[3-[5,6-bis(chloranyl)-1-ethyl-3-(sulfomethyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-5,6-bis(chloranyl)-3-ethyl-benzimidazol-1-yl]methanesulfonic acid Openeye Name: [5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(sulfomethyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-benzimidazol-1-yl]methanesulfonic acid CAS Name: [5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(sulfomethyl)-2-benzimidazol-3-iumyl]prop-2-enylidene]-3-ethyl-1-benzimidazolyl]methanesulfonic acid IUPAC Name: [5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(sulfomethyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]methanesulfonic acid Traditional Name: [5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(sulfomethyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethyl-benzimidazol-1-yl]methanesulfonic acid Formula: C23H23Cl4N4O6S2+ MolecularWeight: 657.39392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CS(=O)(=O)O)Cl)Cl)CC)CS(=O)(=O)O)Cl)Cl

Isomeric SMILES

CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CS(=O)(=O)O)Cl)Cl)CC)CS(=O)(=O)O)Cl)Cl

InChI

InChI=1S/C23H22Cl4N4O6S2/c1-3-28-18-8-14(24)16(26)10-20(18)30(12-38(32,33)34)22(28)6-5-7-23-29(4-2)19-9-15(25)17(27)11-21(19)31(23)13-39(35,36)37/h5-11H,3-4,12-13H2,1-2H3,(H-,32,33,34,35,36,37)/p+1