1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt

Base Information

• Chemical Name: 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt
• CAS No.: 18462-64-1
• Deprecated CAS: 76135-96-1,898044-73-0
• Molecular Formula: C29H33Cl4N4O6S2^.Na
• Molecular Weight: 762.53
• European Community (EC) Number: 242-344-6
• DSSTox Substance ID: DTXSID50939851
• Mol file: 18462-64-1.mol

Synonyms:18462-64-1;EINECS 242-344-6;1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt;1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt (1:1);1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt;Sodium;4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate;TDBC Sodium;Hydrogen 5,6-dichloro-2-(3-(2H-benzimidazol-2-ylidene-5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl))propen-1-yl)-1-ethyl-3-(4-sulphonatobutyl)-1H-benzimidazolium, sodium salt;Hydrogen 5,6-dichloro-2-[3-[2H-benzimidazol-2-ylidene-5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)]propen-1-yl]-1-ethyl-3-(4-sulphonatobutyl)-1H-benzimidazolium, sodium salt;C29H34Cl4N4O6S2.Na;SCHEMBL19858979;DTXSID50939851;EX-A4896;5,6-Dichloro-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichloro-1-ethyl-3-sulfobutyl;1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulfobutyl)-, hydroxide, inner salt, sodium salt;Sodium 4-(5,6-dichloro-2-{3-[5,6-dichloro-3-ethyl-1-(4-sulfonatobutyl)-1H-benzimidazol-3-ium-2-yl]prop-2-en-1-ylidene}-3-ethyl-2,3-dihydro-1H-benzimidazol-1-yl)butane-1-sulfonate;sodium;4-[(2E)-5,6-dichloro-2-[(E)-3-[5,6-dichloro-1-ethyl-3-(4-sulfonatobutyl)benzimidazol-3-ium-2-yl]prop-2-enylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonate

Chemical Property of 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(4-sulfobutyl)-, inner salt, sodium salt

Chemical Property:

• PSA: 149.83000
• LogP: 7.92580
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 762.046382
• Heavy Atom Count: 46
• Complexity: 1140

Purity/Quality:

99% ^*data from raw suppliers

5,6-Dichloro-1-ethyl-3-sulfobutyl-2-(3-(5,6-dichloro-1-ethyl-3-sulfobutylbenzimidazolinylidene-1-propenyl) benzimidazolium hydroxide, innersalt,sodiumsalt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CCCCS(=O)(=O)[O-])Cl)Cl)CC)CCCCS(=O)(=O)[O-])Cl)Cl.[Na+]
• Isomeric SMILES: CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C/3\N(C4=CC(=C(C=C4N3CCCCS(=O)(=O)[O-])Cl)Cl)CC)CCCCS(=O)(=O)[O-])Cl)Cl.[Na+]