tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate

CAS: 3319-31-1

Molecular Formula	`C33H54O6`
Molecular Weight	546.8 g/mol
LogP	10.4
Topological Polar Surface Area	78.9 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	24
Exact Mass	546.392
Heavy Atoms	39
Complexity	677.0

Chemical Identifiers

CAS Number	3319-31-1
SMILES	`CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC`
InChIKey	`KRADHMIOFJQKEZ-UHFFFAOYSA-N`

📖 Product Overview

tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate (CAS: 3319-31-1) is a chemical compound with molecular formula C33H54O6 and molecular weight 546.8 g/mol. Its IUPAC systematic name is tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate. LogP 10.4 Topological Polar Surface Area 78.9 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 24 Exact Mass 546.392 Heavy Atoms 39 Complexity 677.0 InChI Key: KRADHMIOFJQKEZ-UHFFFAOYSA-N. SMILES: CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC.

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