Hexa-(2-ethylhexyl)-hexa-peri-hexabenzocoronene

For research use only. Not for therapeutic Use.

  • CAT Number: R041812
  • CAS Number: 850804-51-2
  • Molecular Formula: C90H114
  • Molecular Weight: 1195.902
  • Purity: ≥95%
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Catalog Number R041812
CAS Number 850804-51-2
Synonyms

2,5,8,11,14,17-Hexakis(2-ethylhexyl)hexabenzo[bc,ef,hi,kl,no,qr]coronene

Molecular Formula C90H114
Purity ≥95%
Storage -20°C
InChI InChI=1S/C90H114/c1-13-25-31-55(19-7)37-61-43-67-69-45-62(38-56(20-8)32-26-14-2)47-71-73-49-64(40-58(22-10)34-28-16-4)51-75-77-53-66(42-60(24-12)36-30-18-6)54-78-76-52-65(41-59(23-11)35-29-17-5)50-74-72-48-63(39-57(21-9)33-27-15-3)46-70-68(44-61)79(67)85-86(80(69)71)88(82(73)75)90(84(77)78)89(83(74)76)87(85)81(70)72/h43-60H,13-42H2,1-12H3
InChIKey GZXHHMLRVQYBMV-UHFFFAOYSA-N
SMILES CCCCC(CC)CC1=CC2=C3C(=C1)C4=CC(=CC5=C4C6=C7C8=C(C=C(C=C58)CC(CC)CCCC)C9=CC(=CC1=C4C=C(C=C5C4=C(C7=C91)C(=C36)C1=C5C=C(C=C21)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC

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