trioctan-2-yl benzene-1,2,4-tricarboxylate

CAS: 59431-98-0

Molecular Formula	`C33H54O6`
Molecular Weight	546.8 g/mol
LogP	11.4
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	59431-98-0
SMILES	`CCCCCCC(C)OC(=O)C1=CC(=C(C=C1)C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC`
InChIKey	`UVCNQUKPQSCICG-UHFFFAOYSA-N`

📖 Product Overview

trioctan-2-yl benzene-1,2,4-tricarboxylate (CAS: 59431-98-0) is a chemical compound with molecular formula C33H54O6 and molecular weight 546.8 g/mol. Its IUPAC systematic name is trioctan-2-yl benzene-1,2,4-tricarboxylate. LogP 11.4 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: UVCNQUKPQSCICG-UHFFFAOYSA-N. SMILES: CCCCCCC(C)OC(=O)C1=CC(=C(C=C1)C(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC.

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