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

4-[(5-Chloro-1,3,3-trimethyl-3H-indolium-2-yl)methylene]-2-[(5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-ethyl-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 ID4271097

More details:






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

3H-Indolium, 5-chloro-2-[[3-[[5-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene]methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene]methyl]-1,3,3-trimethyl-, i nner salt [ACD/Index Name]
4-[(5-Chlor-1,3,3-trimethyl-3H-indolium-2-yl)methylen]-2-[(5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-yliden)methyl]-3-oxo-1-cyclobuten-1-olat [German] [ACD/IUPAC Name]
4-[(5-Chloro-1,3,3-trimethyl-3H-indolium-2-yl)methylene]-2-[(5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)methyl]-3-oxo-1-cyclobuten-1-olate [ACD/IUPAC Name]
4-[(5-Chloro-1,3,3-triméthyl-3H-indolium-2-yl)méthylène]-2-[(5-{[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl}-1-éthyl-3,3-diméthyl-1,3-dihydro-2H-indol-2-ylidène)méthyl]-3-oxo-1-cyclobutén-1-olate [French] [ACD/IUPAC Name]
(4E)-4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[(E)-[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate
154161-81-6 [RN]
4-[(5-chloro-1,3,3-trimethylindol-1-ium-2-yl)methylidene]-2-[[5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-1-ethyl-3,3-dimethylindol-2-ylidene]methyl]-3-oxocyclobuten-1-olate
MFCD03792601
SQ-NHS
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 1
#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: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

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