ChemSpider 2D Image | Sodium 4-[(2Z)-2-{(2Z,4E,6Z)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-3H-benzo[g]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-benzo[g]indol-1-yl]-1-butanesulfonate | C43H47N2NaO6S2

Sodium 4-[(2Z)-2-{(2Z,4E,6Z)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-3H-benzo[g]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-benzo[g]indol-1-yl]-1-butanesulfonate

  • Molecular FormulaC43H47N2NaO6S2
  • Average mass774.963 Da
  • Monoisotopic mass774.277344 Da
  • ChemSpider ID21428188

  • Charge - Charge

More details:

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

3H-Benz[g]indolium, 2-[(1Z,3E,5Z,7Z)-7-[1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-benz[g]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-, inner salt, sodium salt (1:1) [ACD/Index Name]
4-[(2Z)-2-{(2Z,4E,6Z)-7-[3,3-Diméthyl-1-(4-sulfonatobutyl)-3H-benzo[g]indolium-2-yl]-2,4,6-heptatrién-1-ylidène}-3,3-diméthyl-2,3-dihydro-1H-benzo[g]indol-1-yl]-1-butanesulfonate de sodium [French] [ACD/IUPAC Name]
Natrium-4-[(2Z)-2-{(2Z,4E,6Z)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-3H-benzo[g]indolium-2-yl]-2,4,6-heptatrien-1-yliden}-3,3-dimethyl-2,3-dihydro-1H-benzo[g]indol-1-yl]-1-butansulfonat [German] [ACD/IUPAC Name]
Sodium 4-[(2Z)-2-{(2Z,4E,6Z)-7-[3,3-dimethyl-1-(4-sulfonatobutyl)-3H-benzo[g]indolium-2-yl]-2,4,6-heptatrien-1-ylidene}-3,3-dimethyl-2,3-dihydro-1H-benzo[g]indol-1-yl]-1-butanesulfonate [ACD/IUPAC Name]
3599-32-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#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: 124 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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