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CAS 112682-32-3

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4-[({(1R,2S)-5-carboxy-1-[(1Z)-3-(4-heptylphenyl)prop-1-en-1-yl]-2-hydroxypentyl}sulfanyl)methyl]-3-methoxybenzoic acid

Description:
The chemical substance known as 4-[({(1R,2S)-5-carboxy-1-[(1Z)-3-(4-heptylphenyl)prop-1-en-1-yl]-2-hydroxypentyl}sulfanyl)methyl]-3-methoxybenzoic acid, with the CAS number 112682-32-3, is a complex organic compound characterized by its multi-functional groups. It features a benzoic acid moiety, which contributes to its acidity and potential for forming salts or esters. The presence of a sulfanyl group indicates that it may exhibit unique reactivity, particularly in nucleophilic substitution reactions. The compound also contains a long aliphatic chain (heptyl) and a conjugated double bond, which can influence its hydrophobicity and interaction with biological membranes. The stereochemistry indicated by the (1R,2S) configuration suggests that it may have specific spatial arrangements that could affect its biological activity or pharmacological properties. Overall, this compound's structural complexity suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals.
Formula:C31H42O6S
InChI:InChI=1/C31H42O6S/c1-3-4-5-6-7-10-23-15-17-24(18-16-23)11-8-13-29(27(32)12-9-14-30(33)34)38-22-26-20-19-25(31(35)36)21-28(26)37-2/h8,13,15-21,27,29,32H,3-7,9-12,14,22H2,1-2H3,(H,33,34)(H,35,36)/b13-8-/t27-,29+/m0/s1
Synonyms:
  • benzoic acid, 4-[[[(1R,2S)-5-carboxy-1-[(1Z)-3-(4-heptylphenyl)-1-propen-1-yl]-2-hydroxypentyl]thio]methyl]-3-methoxy-
  • 4-({[(2Z,4R,5S)-8-carboxy-1-(4-heptylphenyl)-5-hydroxyoct-2-en-4-yl]sulfanyl}methyl)-3-methoxybenzoic acid
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