3-(2-Isopropylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 1-naphthoate

ChemSpider ID: 23516542
Molecular Formula: C₃₀H₂₁F₃O₅
Average mass: 518.479919 Da
Monoisotopic mass: 518.134094 Da
Systematic name

3-(2-Isopropylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 1-naphthoate
SMILES and InChIs

SMILES:

CC(C)c1ccccc1Oc2c(=O)c3ccc(cc3oc2C(F)(F)F)OC(=O)c4cccc5c4cccc5 Copied

Std. InChI:

InChI=1S/C30H21F3O5/c1-17(2)20-10-5-6-13-24(20)37-27-26(34)23-15-14-19(16-25(23)38-28(27)30(31,32)33)36-29(35)22-12-7-9-18-8-3-4-11-21(18)22/h3-17H,1-2H3 Copied

Std. InChIKey:

XQAIYNZCZAXUES-UHFFFAOYSA-N Copied
Cite this record
CSID:23516542, http://www.chemspider.com/Chemical-Structure.23516542.html (accessed 08:42, May 25, 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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