ChemSpider 2D Image | 5-{[(E)-(6-Oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}-2-[(E)-2-(4-{[(Z)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}-2-sulfophenyl)vinyl]benzenesulfonic acid | C28H22N2O8S2

5-{[(E)-(6-Oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}-2-[(E)-2-(4-{[(Z)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}-2-sulfophenyl)vinyl]benzenesulfonic acid

  • Molecular FormulaC28H22N2O8S2
  • Average mass578.613 Da
  • Monoisotopic mass578.081726 Da
  • ChemSpider ID10016093

  • Double-bond stereo - Double-bond stereo

More details:

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

5-{[(E)-(6-Oxo-2,4-cyclohexadien-1-yliden)methyl]amino}-2-[(E)-2-(4-{[(Z)-(6-oxo-2,4-cyclohexadien-1-yliden)methyl]amino}-2-sulfophenyl)vinyl]benzolsulfonsäure [German] [ACD/IUPAC Name]
5-{[(E)-(6-Oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}-2-[(E)-2-(4-{[(Z)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino}-2-sulfophenyl)vinyl]benzenesulfonic acid [ACD/IUPAC Name]
Acide 5-{[(E)-(6-oxo-2,4-cyclohexadién-1-ylidène)méthyl]amino}-2-[(E)-2-(4-{[(Z)-(6-oxo-2,4-cyclohexadién-1-ylidène)méthyl]amino}-2-sulfophényl)vinyl]benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 5-[[(E)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino]-2-[(E)-2-[4-[[(Z)-(6-oxo-2,4-cyclohexadien-1-ylidene)methyl]amino]-2-sulfophenyl]ethenyl]- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.800
Molar Refractivity: 148.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -4.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 107.3±3.0 dyne/cm
Molar Volume: 347.5±3.0 cm3

Click to predict properties on the Chemicalize site


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