ChemSpider 2D Image | (4E)-4-[(5-Chloro-1,3,3-trimethyl-3H-indolium-2-yl)methylene]-2-[(Z)-(1-ethyl-5-{[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]carbonyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-3-oxo-1- cyclobuten-1-olate | C34H32ClN3O6

(4E)-4-[(5-Chloro-1,3,3-trimethyl-3H-indolium-2-yl)methylene]-2-[(Z)-(1-ethyl-5-{[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]carbonyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-3-oxo-1- cyclobuten-1-olate

  • Molecular FormulaC34H32ClN3O6
  • Average mass614.087 Da
  • Monoisotopic mass613.197937 Da
  • ChemSpider ID95553027

More details:

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

(4E)-4-[(5-Chlor-1,3,3-trimethyl-3H-indolium-2-yl)methylen]-2-[(Z)-(1-ethyl-5-{[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]carbonyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-yliden)methyl]-3-oxo-1-cyc lobuten-1-olat [German] [ACD/IUPAC Name]
(4E)-4-[(5-Chloro-1,3,3-trimethyl-3H-indolium-2-yl)methylene]-2-[(Z)-(1-ethyl-5-{[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]carbonyl}-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-3-oxo-1- cyclobuten-1-olate [ACD/IUPAC Name]
(4E)-4-[(5-Chloro-1,3,3-triméthyl-3H-indolium-2-yl)méthylène]-2-[(Z)-(1-éthyl-5-{[(5-hydroxy-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)oxy]carbonyl}-3,3-diméthyl-1,3-dihydro-2H-indol-2-ylidène)méthyl]-3-oxo-1- cyclobutén-1-olate [French] [ACD/IUPAC Name]
3H-Indolium, 5-chloro-2-[(E)-[3-[(Z)-[5-[[(2,3-dihydro-5-hydroxy-2-oxo-1H-pyrrol-1-yl)oxy]carbonyl]-1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene]m ethyl]-1,3,3-trimethyl-, inner salt [ACD/Index Name]

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

Density:
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Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#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: 113 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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