Product Code

TRC-E918810

CAS Number

88122-99-0

Product Format

Neat

Molecular Formula

C48 H66 N6 O6

Molecular Weight

823.07

Product Categories

TRC, Health and Personal Care Reference Materials

Product Type

Contaminant

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Ethylhexyl Triazone

CAS Number

88122-99-0

Molecular Formula

C48 H66 N6 O6

Molecular Weight

823.07

Accurate Mass

822.5044

SMILES

CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(=O)OCC(CC)CCCC)nc(Nc4ccc(cc4)C(=O)OCC(CC)CCCC)n2)cc1

InChI

InChI=1S/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54)

IUPAC

2-ethylhexyl 4-[[4,6-bis[4-(2-ethylhexoxycarbonyl)anilino]-1,3,5-triazin-2-yl]amino]benzoate

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Ethylhexyl Triazone

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