![[6,6]-Phenyl C61 butyric acid octyl ester, >=99%](https://resource.bocsci.com/structure/571177-68-9.gif)
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(6,6)-PHENYL-C61BUTYRIC ACID BUTYL ESTER
Catalog Number
571177-66-7
CAS
571177-66-7
Synonyms
(6,6)-PHENYL-C61BUTYRICACIDBUTYLESTER; 1,1',10,10'-[3-[3-(Butoxycarbonyl)propyl]-3-phenyl-1,1,2,2-cyclopropanetetryl]-1'',6',7',10''-(1,1,2,2-ethenetetryl)-6,6'',7,7''-(1,1,2,2-ethenetetryl)-4,3,3',4',3'',4''-(1,2,3,4,5,6-benzenehexyl)-5,5'':8,8'':8',9'':9,9'-tetrakiscyclo-2,2':5',2''-terfluoranthene
Molecular Weight
952.981
Molecular Formula
C75H20O2
Product Information
Purity
95%
MDL
MFCD09842755
Physical State
Solid
Appearance
Red to Dark blue to Black powder to crystal
Storage
Keep cold.
Safety Information
Signal Word
Warning
Precautionary Statement
P261-P305+P351+P338
Hazard Statements
H315-H319-H335
WGK Germany
3
Canonical SMILES
CCCCOC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C%10=C%11C%12=C%13C%14=C%10C%10=C1C1=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C(C7=C9C%11=C%26C%12=C%24C%22=C%13C%20=C%14C%18=C%10%16)C7=C%25C9=C(C4=C76)C4=C2C(=C%17C3=C%15C5=C81)C%19=C%21C4=C%239)C1=CC=CC=C1
InChI
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)55-49(41)59-51(37)57(47(53)39(29)33)65(69)67(59)71-63(55)64-56(46)50(42)60-52(38)58-48(40)54(44(34)43)62(61)70(74)66(58)68(60)72(64)75(71,73)74/h4-6,8-9H,2-3,7,10-12H2,1H3
InChI Key
HNCPPCRVHRTKBD-UHFFFAOYSA-N
