3'-Phenyl-3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-butanoic acid butyl ester
[CAS# 571177-66-7]

Identification

• Name: 3'-Phenyl-3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-butanoic acid butyl ester
• Synonyms: [6,6]-Phenyl-C61 Butyric Acid Butyl Ester,1-(3-Butoxycarbonylpropyl)-1-Phenyl-[6.6]C61, PCBB, [60]PCB-C4; 1-(3-Butoxycarbonylpropyl)-1-Phenyl-[6.6]C61, [60]PCB-C4, PCBB; 1-(3-Butoxycarbonylpropyl)-1-Phenyl-[6.6]C61
• Molecular Formula: C₇₅H₂₀O₂
• Molecular Weight: 952.96
• CAS Registry Number: 571177-66-7
• SMILES: CCCCOC(=O)CCCC1(c2ccccc2)C23C41c1c5c6c3c3c7c2c2c8c4c4c1c1c9c5c5c6c6c3c3c%10c7c7c2c2c8c8c4c4c1c1c9c9c5c5c6c3c3c6c%10c7c7c2c2c8c4c4c1c1c9c5c3c3c6c7c2c4c13
• InChI: 1S/C75H20O2/c1-2-3-12-77-14(76)10-7-11-73(13-8-5-4-6-9-13)74-69-61-53-43-33-25-17-15-16-19-23-21(17)29-37-31(23)41-35-27(19)28-20(16)24-22-18(15)26(25)34-40-30(22)38-32(24)42-36(28)46-45(35)55-4