Dodecyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate

CAS Registry Number®

571177-69-0
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CAS Name

Dodecyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate

Molecular Formula

C83H36O2

Molecular Mass

1065.17

Cite this Page

Dodecyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=571177-69-0 (retrieved 2024-08-20) (CAS RN: 571177-69-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C83H36O2/c1-2-3-4-5-6-7-8-9-10-14-20-85-22(84)18-15-19-81(21-16-12-11-13-17-21)82-77-69-61-51-41-33-25-23-24-27-31-29(25)37-45-39(31)49-43-35(27)36-28(24)32-30-26(23)34(33)42-48-38(30)46-40(32)50-44(36)54-53(43)63-57(49)67-59(45)65(55(61)47(37)41)73(77)75(67)79-71(63)72-64(54)58(50)68-60(46)66-56(48)62(52(42)51)70(69)78(82)74(66)76(68)80(72)83(79,81)82/h11-13,16-17H,2-10,14-15,18-20H2,1H3

InChIKey

InChIKey=FFSXORVYVMTDMV-UHFFFAOYSA-N

SMILES

C(CCC(OCCCCCCCCCCCC)=O)C1(C23C14C=5C=6C=7C2=C8C9=C3C=%10C=%11C4=C%12C5C%13=C%14C6C=%15C7C%16=C8C=%17C%18=C9C=%19C%10C=%20C%11C=%21C%12=C%22C%13=C%23C%14=C%24C%15C%25=C%16C%17C=%26C%27=C%18C%19C=%28C%20C=%29C%21C%22=C%30C%23=C%31C%24=C%25C%26C%32=C%27C%28C%29C%30=C%31%32)C%33=CC=CC=C%33

Canonical SMILES

O=C(OCCCCCCCCCCCC)CCCC1(C=2C=CC=CC2)C34C5=C6C=7C=8C=9C=%10C=%11C%12=C%13C%14=C%15C%11C%16=C%17C%15=C%18C%19=C%14C=%20C%13=C%21C%22=C%12C%10C%23=C%24C%22=C%25C%21=C%26C%20C=%27C%19=C%28C%18=C%29C%17=C(C7C%169)C5=C%29C%30=C%28C=%31C%27C%26=C%32C%25=C%33C%24=C(C%238)C6=C4C%33=C%32C%31C%3031

Other Names for this Substance

  • 3′H-Cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoic acid, 3′-phenyl-, dodecyl ester
  • Dodecyl 3′-phenyl-3′H-cyclopropa[1,9][5,6]fullerene-C60-Ih-3′-butanoate