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Product Overview

Product Code

TRC-H293890

CAS Number

850804-51-2

Product Format

Neat

Molecular Formula

C90 H114

Molecular Weight

1195.87

Product Categories

Additional Cancer Bioactive Molecules, TRC

Documentation

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Product Information

Chemical 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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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