Hexa-(2-ethylhexyl)-hexa-peri-hexabenzocoronene
Product Code
TRC-H293890
CAS Number
Product Format
Neat
Molecular Formula
C90 H114
Molecular Weight
1195.87
Product Categories
Price and availability
Documentation
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Product Information
Product Data
Analyte Name
Hexa-(2-ethylhexyl)-hexa-peri-hexabenzocoronene
CAS Number
850804-51-2
Molecular Formula
C90 H114
Molecular Weight
1195.87
Accurate Mass
1194.8921
SMILES
C=1C(=CC=2C3=CC(=CC=4C=5C=C(C=C6C7=CC(=CC=8C=9C=C(C=C%10C=%11C=C(C=C%12C1C2C%13=C(C%12%11)C(C%109)=C(C87)C(C56)=C%13C34)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC
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
IUPAC
6,11,20,25,34,39-hexakis(2-ethylhexyl)tridecacyclo[28.12.0.0^{2,15}.0^{3,8}.0^{4,41}.0^{9,14}.0^{13,18}.0^{16,29}.0^{17,22}.0^{23,28}.0^{27,32}.0^{31,36}.0^{37,42}]dotetraconta-1,3,5,7,9,11,13,15,17,19,21,23(28),24,26,29,31(36),32,34,37,39,41-henicosaene
Storage & Transport Information
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Format
Neat
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