ChemSpider 2D Image | Dimethyl (2Z)-2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-3-{(E)-2-[(4-methylphenyl)sulfonyl]vinyl}-2-butenedioate | C35H35ClO6S

Dimethyl (2Z)-2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-3-{(E)-2-[(4-methylphenyl)sulfonyl]vinyl}-2-butenedioate

  • Molecular FormulaC35H35ClO6S
  • Average mass619.167 Da
  • Monoisotopic mass618.184265 Da
  • ChemSpider ID30660311

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[(1Z,3Z)-4-Chloro-3-éthyl-1,2-diphényl-1,3-hexadién-1-yl]-3-{(E)-2-[(4-méthylphényl)sulfonyl]vinyl}-2-butènedioate de diméthyle [French] [ACD/IUPAC Name]
2-Butenedioic acid, 2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-3-[(E)-2-[(4-methylphenyl)sulfonyl]ethenyl]-, dimethyl ester, (2Z)- [ACD/Index Name]
Dimethyl (2Z)-2-[(1Z,3Z)-4-chloro-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-3-{(E)-2-[(4-methylphenyl)sulfonyl]vinyl}-2-butenedioate [ACD/IUPAC Name]
Dimethyl-(2Z)-2-[(1Z,3Z)-4-chlor-3-ethyl-1,2-diphenyl-1,3-hexadien-1-yl]-3-{(E)-2-[(4-methylphenyl)sulfonyl]vinyl}-2-butendioat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 382.9±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 170.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 304129.44
ACD/KOC (pH 5.5): 292649.13
ACD/LogD (pH 7.4): 7.52
ACD/BCF (pH 7.4): 304129.44
ACD/KOC (pH 7.4): 292649.13
Polar Surface Area: 95 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 511.3±3.0 cm3

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