3-(3,5-Dimethylphenoxy)-4-oxo-4H-chromen-7-yl 3,4,5-triethoxybenzoate

ChemSpider ID: 1354313
Molecular Formula: C₃₀H₃₀O₈
Average mass: 518.554382 Da
Monoisotopic mass: 518.194092 Da
Systematic name

3-(3,5-Dimethylphenoxy)-4-oxo-4H-chromen-7-yl 3,4,5-triethoxybenzoate
SMILES and InChIs

SMILES:

O=C(Oc3ccc2c(O/C=C(/Oc1cc(cc(c1)C)C)C2=O)c3)c4cc(OCC)c(OCC)c(OCC)c4 Copied

Std. InChI:

InChI=1S/C30H30O8/c1-6-33-25-14-20(15-26(34-7-2)29(25)35-8-3)30(32)38-21-9-10-23-24(16-21)36-17-27(28(23)31)37-22-12-18(4)11-19(5)13-22/h9-17H,6-8H2,1-5H3 Copied

Std. InChIKey:

QMUJDHQMSMTXOS-UHFFFAOYSA-N Copied
Cite this record
CSID:1354313, http://www.chemspider.com/Chemical-Structure.1354313.html (accessed 01:29, May 24, 2013) 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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