3'-Phenyl-3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-butanoic acid octyl ester
[CAS# 571177-68-9]

Identification

• Name: 3'-Phenyl-3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-butanoic acid octyl ester
• Synonyms: 1-(3-Octoxycarbonylpropyl)-1-Phenyl-[6.6]C61, [60]PCB-C8, PCBO; [6,6]-Phenyl C61 Butyric Acid Octyl Ester, >=99%; [6,6]-Phenyl-C61 Butyric Acid Octyl Ester
• Molecular Formula: C₇₉H₂₈O₂
• Molecular Weight: 1009.07
• CAS Registry Number: 571177-68-9
• SMILES: CCCCCCCCOC(=O)CCCC1(c2ccccc2)C23C41c1c5c2c2c6c7c5c5c8c1c1c9c4c4c%10c3c3c2c2c6c6c%11c7c5c5c7c8c1c1c8c9c4c4c9c%10c3c3c2c2c6c6c%11c5c5c7c1c1c8c4c4c9c3c2c2c4c1c5c62
• 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)78-73-66-59-47-39-30-21-19-20-22-25(21)34-41(39)49-50-42(34)40-31(22)33-29-24(20)27-26-23(19)28-32(30)45(47)53-51-37(28)35(2