ChemSpider 2D Image | 3-[(Ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(phenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate | C37H36N2O6S2

3-[(Ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(phenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate

  • Molecular FormulaC37H36N2O6S2
  • Average mass668.821 Da
  • Monoisotopic mass668.201477 Da
  • ChemSpider ID65981

More details:

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

229-640-0 [EINECS]
3-[(Ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(phenyl)methylen]-2,5-cyclohexadien-1-yliden}ammonio)methyl]benzolsulfonat [German] [ACD/IUPAC Name]
3-[(Ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(phenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate [ACD/IUPAC Name]
3-[(Éthyl{(1E,4E)-4-[{4-[éthyl(3-sulfobenzyl)amino]phényl}(phényl)méthylène]-2,5-cyclohexadién-1-ylidène}ammonio)méthyl]benzènesulfonate [French] [ACD/IUPAC Name]
3-[[ethyl-[4-[[4-[ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]azaniumyl]methyl]benzenesulfonate
6638-02-4 [RN]
Benzenemethanaminium, N-ethyl-N-[(1E,4E)-4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt [ACD/Index Name]
Benzenemethanaminium, N-ethyl-N-[4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt
benzenesulfonate, 3-[[ethyl[4-[[4-[ethyl[(3-sulfonatophenyl)methyl]amino]phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammonio]methyl]-, inner salt, hydrogen salt
Hydrogen 3-[(ethyl{4-[{4-[ethyl(3-sulfonatobenzyl)amino]phenyl}(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene}ammonio)methyl]benzenesulfonate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000082 [DBID]
AIDS-000082 [DBID]
AIDS073122 [DBID]
AIDS-073122 [DBID]
NSC 47768 [DBID]
NSC47768 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#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: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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