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CAS 571177-68-9

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Octyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate

Description:
Octyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate is a complex organic compound that belongs to the fullerene family, specifically a derivative of C60 fullerene. This substance features a unique structure characterized by the presence of a cyclopropane moiety and various functional groups, including an octyl chain and a butanoate ester. The incorporation of the phenyl group enhances its electronic properties, making it potentially useful in organic electronics, photovoltaics, and nanotechnology applications. The compound exhibits hydrophobic characteristics due to the long octyl chain, which can influence its solubility and interaction with biological systems. Additionally, the fullerene core contributes to its stability and unique optical properties, such as strong light absorption and potential photochemical reactivity. Overall, this compound's distinctive structure and properties make it a subject of interest in materials science and organic chemistry research.
Formula:C79H28O2
InChI:InChI=1S/C79H28O2/c1-2-3-4-5-6-10-16-81-18(80)14-11-15-77(17-12-8-7-9-13-17)78-73-65-57-47-37-29-21-19-20-23-27-25(21)33-41-35(27)45-39-31(23)32-24(20)28-26-22(19)30(29)38-44-34(26)42-36(28)46-40(32)50-49(39)59-53(45)63-55(41)61(51(57)43(33)37)69(73)71(63)75-67(59)68-60(50)54(46)64-56(42)62-52(44)58(48(38)47)66(65)74(78)70(62)72(64)76(68)79(75,77)78/h7-9,12-13H,2-6,10-11,14-16H2,1H3
InChI key:InChIKey=ADEGFIBLPDLJCV-UHFFFAOYSA-N
SMILES:C(CCC(OCCCCCCCC)=O)C1(C23C14C=5C=6C=7C2=C8C9=C3C=%10C=%11C4=C%12C5C%13=C%14C6C=%15C7C%16=C8C=%17C%18=C9C=%19C%10C=%20C%11C=%21C%12=C%22C%13=C%23C%14=C%24C%15C%25=C%16C%17C=%26C%27=C%18C%19C=%28C%20C=%29C%21C%22=C%30C%23=C%31C%24=C%25C%26C%32=C%27C%28C%29C%30=C%31%32)C%33=CC=CC=C%33
Synonyms:
  • 1-(3-Octoxycarbonylpropyl)-1-phenyl-[6.6]C61, [60]PCB-C8, PCBO
  • 3′H-Cyclopropa[1,9][5,6]fullerene-C<sub>60</sub>-I<sub>h</sub>-3′-butanoic acid, 3′-phenyl-, octyl ester
  • Octyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C<sub>60</sub>-I<sub>h</sub>-3′-butanoate
  • [6,6]-Phenyl C61 butyric acid octyl ester, >=99%
  • [6,6]-Phenyl-C61 butyric acid octyl ester
  • 3′H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoic acid, 3′-phenyl-, octyl ester
  • Octyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate
  • [6,6]-Phenyl-C61-butyric Acid n-Octyl Ester
  • [6,6]-Phenyl-C61-butyricAcidn-OctylEster&gt
  • -Octyl Ester
  • See more synonyms
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