ChemSpider 2D Image | {[4-({4-[Bis(4-{[4-(sulfinatooxy)phenyl]amino}phenyl)methylen]-2,5-cyclohexadien-1-yliden}ammonio)phenoxy]sulfinyl}oxidanid | C37H27N3O9S3

{[4-({4-[Bis(4-{[4-(sulfinatooxy)phenyl]amino}phenyl)methylen]-2,5-cyclohexadien-1-yliden}ammonio)phenoxy]sulfinyl}oxidanid

  • Molecular FormulaC37H27N3O9S3
  • Average mass753.821 Da
  • Monoisotopic mass753.092041 Da
  • ChemSpider ID21428977

  • Charge - Charge

More details:

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

{[4-({4-[Bis(4-{[4-(sulfinatooxy)phenyl]amino}phenyl)methylen]-2,5-cyclohexadien-1-yliden}ammonio)phenoxy]sulfinyl}oxidanid
{[4-({4-[Bis(4-{[4-(sulfinatooxy)phenyl]amino}phenyl)methylen]-2,5-cyclohexadien-1-yliden}ammonio)phenoxy]sulfinyl}oxidanid [German] [ACD/IUPAC Name]
{[4-({4-[Bis(4-{[4-(sulfinatooxy)phenyl]amino}phenyl)methylene]-2,5-cyclohexadien-1-ylidene}ammonio)phenoxy]sulfinyl}oxidanide [ACD/IUPAC Name]
{[4-({4-[Bis(4-{[4-(sulfinatooxy)phényl]amino}phényl)méthylène]-2,5-cyclohexadién-1-ylidène}ammonio)phénoxy]sulfinyl}oxidanide
{[4-({4-[Bis(4-{[4-(sulfinatooxy)phényl]amino}phényl)méthylène]-2,5-cyclohexadién-1-ylidène}ammonio)phénoxy]sulfinyl}oxydanide [French] [ACD/IUPAC Name]
Phenol, 4,4'-[[[4-[[4-(sulfinooxy)phenyl]imino]-2,5-cyclohexadien-1-ylidene]methylene]bis(4,1-phenyleneimino)]bis-, bis(hydrogen sulfite) (ester), inner salt, ion(2-) [ACD/Index Name]

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

Density:
Boiling Point: 1030.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.8±3.0 kJ/mol
Flash Point: 577.3±37.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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