ChemSpider 2D Image | BRILLANT BLUE | C37H36N2O9S3

BRILLANT BLUE

  • Molecular FormulaC37H36N2O9S3
  • Average mass748.885 Da
  • Monoisotopic mass748.158264 Da
  • ChemSpider ID110249

More details:

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

25305-78-6 [RN]
3-[(Ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(2-sulfophenyl)methylen]-2,5-cyclohexadien-1-yliden}ammonio)methyl]benzolsulfonat [German] [ACD/IUPAC Name]
3-[(Ethyl{(1E,4E)-4-[{4-[ethyl(3-sulfobenzyl)amino]phenyl}(2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)methyl]benzenesulfonate [ACD/IUPAC Name]
3-[(Éthyl{(1E,4E)-4-[{4-[éthyl(3-sulfobenzyl)amino]phényl}(2-sulfophényl)méthylène]-2,5-cyclohexadién-1-ylidène}ammonio)méthyl]benzènesulfonate [French] [ACD/IUPAC Name]
Benzenemethanaminium, N-ethyl-N-[(1E,4E)-4-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl](2-sulfophenyl)methylene]-2,5-cyclohexadien-1-ylidene]-3-sulfo-, inner salt [ACD/Index Name]
BRILLANT BLUE
(4-{ETHYL[(3-SULFONATOPHENYL)METHYL]AMINO}PHENYL)(4-{ETHYL[(3-SULFOPHENYL)METHYL]AMINO}PHENYL)(2-SULFOPHENYL)METHYLIUM
15792-67-3 [RN]
2-[[4-[Ethyl-[(3-sulfophenyl)methyl]amino]phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzenesulfonate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1Y6J4O88C8 [DBID]
C.I. 42090 [DBID]
UNII:1Y6J4O88C8 [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: 11
#H bond donors: 3
#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: 197 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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