199866-90-5 Purity
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Specification
The molecular formula is C20H34O8.
The molecular weight is 402.5 g/mol.
The IUPAC name is 1,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzene.
The InChI is InChI=1S/C20H34O8/c1-21-7-9-23-11-13-25-15-17-27-19-3-5-20(6-4-19)28-18-16-26-14-12-24-10-8-22-2/h3-6H,7-18H2,1-2H3.
The InChIKey is GLFDQJMQVPBQCE-UHFFFAOYSA-N.
The canonical SMILES is COCCOCCOCCOC1=CC=C(C=C1)OCCOCCOCCOC.
The CAS number is 221243-98-7.
The EC number is 623-650-2.
The DSSTox Substance ID is DTXSID50584567.
Yes, 1,4-Bis(1,4,7,10-tetraoxaundecyl)benzene is a canonicalized compound.