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Search term: UYSRBUVVSIYHKP-UHFFFAOYSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | 3-(5,6-Dichloro-2-{3-[5,6-dichloro-1-ethyl-3-(3-sulfonatopropyl)-1H-3,1-benzimidazol-3-ium-2-yl]-2-propen-1-ylidene}-3-ethyl-2,3-dihydro-1H-benzimidazol-1-yl)-1-propanesulfonate | C27H29Cl4N4O6S2

3-(5,6-Dichloro-2-{3-[5,6-dichloro-1-ethyl-3-(3-sulfonatopropyl)-1H-3,1-benzimidazol-3-ium-2-yl]-2-propen-1-ylidene}-3-ethyl-2,3-dihydro-1H-benzimidazol-1-yl)-1-propanesulfonate

  • Molecular FormulaC27H29Cl4N4O6S2
  • Average mass711.485 Da
  • Monoisotopic mass709.028809 Da
  • ChemSpider ID3134709
  • Charge - Charge


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-3,1-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfopropyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-, inner salt, ion(1-) [ACD/Index Name]
3-(5,6-Dichlor-2-{3-[5,6-dichlor-1-ethyl-3-(3-sulfonatopropyl)-1H-3,1-benzimidazol-3-ium-2-yl]-2-propen-1-yliden}-3-ethyl-2,3-dihydro-1H-benzimidazol-1-yl)-1-propansulfonat [German] [ACD/IUPAC Name]
3-(5,6-Dichloro-2-{3-[5,6-dichloro-1-ethyl-3-(3-sulfonatopropyl)-1H-3,1-benzimidazol-3-ium-2-yl]-2-propen-1-ylidene}-3-ethyl-2,3-dihydro-1H-benzimidazol-1-yl)-1-propanesulfonate [ACD/IUPAC Name]
3-(5,6-Dichloro-2-{3-[5,6-dichloro-1-éthyl-3-(3-sulfonatopropyl)-1H-3,1-benzimidazol-3-ium-2-yl]-2-propén-1-ylidène}-3-éthyl-2,3-dihydro-1H-benzimidazol-1-yl)-1-propanesulfonate [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
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#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 146 Å2
Polarizability:
Surface Tension:
Molar Volume:

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