![Chemical structure of [6,6]-Phenyl-C61-butyric Acid Dodecyl Ester, CAS 571177-69-0](https://api.angenesci.com/structure/2778/571177-69-0.png)
| CAS Number | 571177-69-0 |
| Catalog Number | AG00EF47(AGN-PC-0SN1HP) |
| Chemical Name | [6,6]-Phenyl-C61-butyric Acid Dodecyl Ester |
| IUPAC Name | dodecyl 4-[(28R,30S)-29-phenyl-29-heptadecacyclo[10.8.8.813,17.55,28.04,22.08,32.09,30.016,40.020,35.021,36.023,33.024,37.025,31.026,38.027,41.028,30.034,39]hentetraconta-1(20),2,4,6,8,10,12,14,16,18,21,23,25(31),26,32,34,36,38,40-nonadecaenyl]butanoate |
| InChI | InChI=1S/C63H46O2/c1-2-3-4-5-6-7-8-9-10-14-30-65-42(64)18-15-29-61(31-16-12-11-13-17-31)62-40-27-28-41-39-26-24-37-35-22-20-33-32-19-21-34-36-23-25-38(40)49-47(36)52-45(34)43(32)51-44(33)46(35)53-48(37)50(39)60(63(41,61)62)58-56(53)54(51)55(52)57(58)59(49)62/h11-13,16-17,19-28H,2-10,14-15,18,29-30H2,1H3/t61?,62-,63+ |
| InChI Key | IEEVKWMGDASVBU-JXVTUAGDSA-N |
| MDL Number | MFCD27976836 |
| Molecular Formula | C83H36O2 |
| Molecular Weight | 1065.1727 |
| SMILES | CCCCCCCCCCCCOC(=O)CCCC1(C23C14c5c6c7c8c9c1c%10c%11c%12c%13c%14c%10c%10c9c7c7c5c5c2c2c9c%15c(c%13c%13c%12c%12c%16c%11c1c1c8c8c6c4c4c6c8c1c%16c1c%12c8c%13c%15c%11c8c(c16)c4c3c%112)c1c%14c%10c7c5c19)c1ccccc1 |
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