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CAS 111031-14-2

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2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one - 5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole (1:1)

Description:
The chemical substance with the name "2-[(1E)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one - 5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole (1:1)" and CAS number 111031-14-2 is a complex organic compound characterized by its multi-functional groups and structural diversity. It features a cyclohexenone core, which is indicative of potential reactivity and biological activity, particularly in medicinal chemistry. The presence of various substituents, such as ethylsulfanyl and octylsulfinyl groups, suggests potential applications in pharmaceuticals or agrochemicals, possibly influencing its solubility and interaction with biological targets. The compound's stereochemistry, denoted by the (1E) and (2E) configurations, implies specific spatial arrangements that can significantly affect its chemical behavior and biological efficacy. Overall, this substance exemplifies the intricate nature of synthetic organic compounds, where structural variations can lead to diverse functional properties. Further studies would be necessary to elucidate its specific applications and mechanisms of action.
Formula:C35H54ClNO6S2
InChI:InChI=1/C18H28O3S.C17H26ClNO3S/c1-3-4-5-6-7-8-11-22(19)15(2)12-16-9-10-17-18(13-16)21-14-20-17;1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h9-10,13,15H,3-8,11-12,14H2,1-2H3;6-7,12-13,20H,4-5,8-11H2,1-3H3/b;7-6+,19-14+
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