Terephthalic acid - 1,2-ethanediol (1:1)

ChemSpider ID: 11184247
Molecular Formula: C₁₀H₁₂O₆
Average mass: 228.1987 Da
Monoisotopic mass: 228.063385 Da
Systematic name

Terephthalic acid - 1,2-ethanediol (1:1)
SMILES and InChIs

SMILES:

O=C(O)c1ccc(cc1)C(O)=O.OCCO Copied

Std. InChI:

InChI=1S/C8H6O4.C2H6O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;3-1-2-4/h1-4H,(H,9,10)(H,11,12);3-4H,1-2H2 Copied

Std. InChIKey:

FYIBGDKNYYMMAG-UHFFFAOYSA-N Copied
Cite this record
CSID:11184247, http://www.chemspider.com/Chemical-Structure.11184247.html (accessed 17:29, May 18, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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