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Substance Name: Docosyloxymethoxybenzyl azafullerenedione
RN: 943912-75-2
UNII: ML1L47JX7R
InChIKey: AQKPPGWPERFFEN-UHFFFAOYSA-N

Molecular Weight

  • 1212.4117
 
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Names and Synonyms

Name of Substance

  • Docosyloxymethoxybenzyl azafullerenedione

Synonyms

  • 2A-Aza-1,2(2a)-homo-1,9-seco(5,6)fullerene-c60-ih-1,9-dione, 2a-((4-(docosyloxy)-3-methoxyphenyl)methyl)-
  • Docosyloxymethoxybenzyl azafullerenedione [INCI]
  • HG2-V2
  • UNII-ML1L47JX7R

Registry Numbers

CAS Registry Number

  • 943912-75-2

FDA UNII

  • ML1L47JX7R

System Generated Number

  • 0943912752

Structure Descriptors

InChI

1S/C90H53NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-95-29-24-23-28(26-30(29)94-2)27-91-88-83-75-67-56-47-39-37-31-32-34-36-35-33(31)40-41(37)49-53(47)64-69-59(49)58-48(40)51-44(35)52-45(36)54-50-43(34)46-38(32)42(39)55(56)60-57(46)66-61(50)73-65(54)71-63(52)70-62(51)68(58)77-78(69)86(81(83)72(64)67)89(92)85(77)79(70)80(71)87(90(91)93)82(73)84(88)76(66)74(60)75/h23-24,26H,3-22,25,27H2,1-2H3

InChIKey

AQKPPGWPERFFEN-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCCOc1ccc(cc1OC)Cn2c3c4c5c6c7c8c9c1c%10c%11c%12c%13c%14c%10c%10c1c1c8c8c6c4c4c6c8c1c1c%10c8c%14c%10c%13c%13c%14c%12c%12c%11c9c7c7c%12c9c%14c%11c%13c%12c%10c%10c8c1c6c(c%10c%12c(c%11c3c9c75)c2=O)c4=O