3'-(phenyl-2,3,4,5,6-d5)-3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-butanoic Acid methyl ester
[CAS# 749898-80-4]

Identification

• Name: 3'-(phenyl-2,3,4,5,6-d5)-3'H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3'-butanoic Acid methyl ester
• Synonyms: D5-PCBM, 1-[3-(Methoxycarbonyl)Propyl]-1-Pentadeuterophenyl-[6.6] C61, 3Μ-(Phenyl-D5) 3Μh-Cyclopropyl[1,9] [5,6]Fullerene-C60-Ih-3Μ-Butanoic Acid Methyl Ester; [6,6]-Pentadeuterophenyl C61 Butyric Acid Methyl Ester; (6,6)-PENTADEUTEROPHENYL C61 BUTYRIC AC&
• Molecular Formula: C₇₂H₉D₅O₂
• Molecular Weight: 915.91
• CAS Registry Number: 749898-80-4
• SMILES: COC(=O)CCCC1(c2c([2H])c([2H])c(c(c2[2H])[2H])[2H])C23C41c1c5c6c3c3c7c2c2c8c4c4c1c1c9c5c5c6c6c3c3c%10c7c7c2c2c8c8c4c4c1c1c9c9c5c5c6c3c3c6c%10c7c7c2c2c8c4c4c1c1c9c5c3c3c6c7c2c4c13
• InChI: 1S/C72H14O2/c1-74-11(73)8-5-9-70(10-6-3-2-4-7-10)71-66-58-50-40-30-22-14-12-13-16-20-18(14)26-34-28(20)38-32-24(16)25-17(13)21-19-15(12)23(22)31-37-27(19)35-29(21)39-33(25)43-42(32)52-46(38)56-4