3,3-Dibenzyl 1,5-bis(2-methyl-2-propanyl) 1,3,3,5-pentanetetracarboxylate

ChemSpider ID: 9596242
Molecular Formula: C₃₁H₄₀O₈
Average mass: 540.64447 Da
Monoisotopic mass: 540.272339 Da
Systematic name

3,3-Dibenzyl 1,5-bis(2-methyl-2-propanyl) 1,3,3,5-pentanetetracarboxylate
SMILES and InChIs

SMILES:

O=C(OC(C)(C)C)CCC(C(=O)OCc1ccccc1)(C(=O)OCc2ccccc2)CCC(=O)OC(C)(C)C Copied

Std. InChI:

InChI=1S/C31H40O8/c1-29(2,3)38-25(32)17-19-31(20-18-26(33)39-30(4,5)6,27(34)36-21-23-13-9-7-10-14-23)28(35)37-22-24-15-11-8-12-16-24/h7-16H,17-22H2,1-6H3 Copied

Std. InChIKey:

GEXOKIZAVLBXIL-UHFFFAOYSA-N Copied
Cite this record
CSID:9596242, http://www.chemspider.com/Chemical-Structure.9596242.html (accessed 13:22, May 26, 2012) Copied

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

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