Chem
J-GLOBAL ID：201707012968956940   Nikkaji number：J3.660.722J

[8,12-Dioxo-2,6,10-tris(dodecyloxycarbonyl)-8H,12H-dibenzo[cd,mn]pyrene-4-yloxy]radical

[8,12-ジオキソ-2,6,10-トリス(ドデシルオキシカルボニル)-8H,12H-ジベンゾ[cd,mn]ピレン-4-イルオキシ]ラジカル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C61H81O9
Molecular formula furigana： C61-H81-O9
Molecular weight： 958.310
InChI： InChI=1S/C61H81O9/c1-4-7-10-13-16-19-22-25-28-31-34-68-59(65)43-37-46-52-47(38-43)57(63)49-40-45(61(67)70-36-33-30-27-24-21-18-15-12-9-6-3)42-51-54(49)55(52)53-48(56(46)62)39-44(41-50(53)58(51)64)60(66)69-35-32-29-26-23-20-17-14-11-8-5-2/h37-42H,4-36H2,1-3H3
InChI key： STINZCDQMLAADT-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOC(=O)c1cc2c([O])c3cc(cc4c3c3c2c(c1)c(=O)c1cc(cc(c31)c4=O)C(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC
Systematic name  (3)：
  • [8,12-ジオキソ-2,6,10-トリス(ドデシルオキシカルボニル)-8H,12H-ジベンゾ[cd,mn]ピレン-4-イルオキシ]ラジカル
  • {5,11,17-トリス[(ドデシルオキシ)カルボニル]-14,22-ジオキソヘキサシクロ[11.7.1.13,19.02,7.09,21.015,20]ドコサ-1,3,5,7,9,11,13(21),15,17,19-デカエン-8-イル}オキシダニル
  • {5,11,17-tris[(dodecyloxy)carbonyl]-14,22-dioxohexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-1,3,5,7,9,11,13(21),15,17,19-decaen-8-yl}oxidanyl
Other name (1)：
  • [8,12-Dioxo-2,6,10-tris(dodecyloxycarbonyl)-8H,12H-dibenzo[cd,mn]pyrene-4-yloxy]radical
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