ChemSpider 2D Image | 2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonate | C32H35N2O12S4

2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonate

  • Molecular FormulaC32H35N2O12S4
  • Average mass767.888 Da
  • Monoisotopic mass767.108948 Da
  • ChemSpider ID28527728
  • Charge - Charge


More details:






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

2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-yliden]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonat [German] [ACD/IUPAC Name]
2-{(1E,3E,5E,7E)-7-[3,3-Dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl}-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonate [ACD/IUPAC Name]
2-{(1E,3E,5E,7E)-7-[3,3-Diméthyl-5-sulfonato-1-(2-sulfonatoéthyl)-1,3-dihydro-2H-indol-2-ylidène]-4-méthyl-1,3,5-heptatrién-1-yl}-3,3-diméthyl-1-(2-sulfonatoéthyl)-3H-indolium-5-sulfonate [French] [ACD/IUPAC Name]
3H-Indolium, 2-[(1E,3E,5E,7E)-7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-, inner salt, ion(3-) [ACD/Index Name]
2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonate
tetrasulfocyanine(3-)
  • Miscellaneous
    • Chemical Class:

      An organosulfonate oxoanion which is the trianion obtained by the deprotonation of the sulfo groups of tetrasulfocyanine acid. ChEBI CHEBI:68630

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 4
#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: 269 Å2
Polarizability:
Surface Tension:
Molar Volume:

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