CAS 162520-00-5: Benzoic acid, 2-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]thio]-
Description:Benzoic acid, 2-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl]thio]- is a chemical compound characterized by its benzoic acid core, which features a thioether substituent derived from a long-chain dodecatriene. The presence of the thio group indicates that it contains sulfur, which can influence its reactivity and solubility. The compound's structure includes multiple double bonds, contributing to its unsaturation and potential for various chemical reactions, such as addition or oxidation. The trimethyl groups suggest a branched structure, which can affect its physical properties, such as melting and boiling points, as well as its steric hindrance. This compound may exhibit biological activity due to its complex structure, making it of interest in fields such as organic chemistry and biochemistry. Additionally, its CAS number, 162520-00-5, allows for easy identification and reference in chemical databases. Overall, this compound's unique features make it a subject of interest for further research and application in various chemical contexts.
Formula:C22H30O2S
InChI:InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
InChI key:InChIKey=WUILNKCFCLNXOK-CFBAGHHKSA-N
SMILES:O=C(O)C=1C=CC=CC1SCC=C(C)CCC=C(C)CCC=C(C)C
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