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CAS 1048679-01-1

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Bis(1-[3-(methoxycarbonyl)propyl]-1-phenyl)-[6.6]C62(mixture of isomers)

Description:
Bis(1-[3-(methoxycarbonyl)propyl]-1-phenyl)-[6.6]C62, with CAS number 1048679-01-1, is a complex organic compound characterized by its unique molecular structure, which includes a fullerene core (C62) and multiple functional groups. The presence of methoxycarbonyl groups suggests that the compound exhibits ester functionalities, which can influence its solubility and reactivity. The phenyl groups attached to the propyl chains contribute to the compound's aromatic characteristics, potentially enhancing its stability and electronic properties. As a mixture of isomers, this substance may exhibit varying physical and chemical properties depending on the specific arrangement of its substituents. Such compounds are often studied for their potential applications in materials science, organic electronics, and nanotechnology due to their unique electronic properties and ability to form complex structures. Additionally, the presence of multiple functional groups may allow for further chemical modifications, making it a versatile candidate for research and development in various chemical applications.
Formula:C84H28O4
InChI:InChI=1S/C84H28O4/c1-87-21(85)15-9-17-79(19-11-5-3-6-12-19)81-71-55-39-23-25-43-31-27(39)47-35-37-49-29-33-45-26-24-41(29)57(73(81)65(49)63(47)71)58-42(24)30-34-46(26)62-61(45)77-69(53(33)37)67(51(31)35)75-59(43)60-44(25)32-28-40(23)56(55)72-64-48(28)36-38(50(30)66(64)74(58)82(72,79)81)54(34)70-68(52(32)36)76(60)84(78(62)70)80(83(75,77)84,18-10-16-22(86)88-2)20-13-7-4-8-14-20/h3-8,11-14H,9-10,15-18H2,1-2H3
InChI key:VESBOBHLCIVURF-UHFFFAOYSA-N
SMILES:COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C7=C7C%10=C%11C%12=C7C7=C%13C%14=C%12C%12=C%15C%14=C%14C%16=C%17C%15=C%15C%18=C%12C%11=C(C%18=C2C2=C%15C%17=C%11C%12=C2C3=C2C5=C8C3=C2C%12=C2C%11=C%16C5=C8C2=C3C9=C8C(=C17)C%131C5%14C1(CCCC(=O)OC)C1=CC=CC=C1)C4=C%106)C1=CC=CC=C1
Synonyms:
  • 3',3''-Diphenyl-3'H,3''H-dicyclopropa(1,9:52,60)(5,6)fullerene-C60-ih-3',3''-dibutanoic acid 3',3''-dimethyl ester
Found 4 products.