(17-Hydroxy-3-oxoestra-4,9-dien-17-yl)acetonitrile

ChemSpider ID: 21203724
Molecular Formula: C₂₀H₂₅NO₂
Average mass: 311.417999 Da
Monoisotopic mass: 311.188995 Da
Systematic name

(17-Hydroxy-3-oxoestra-4,9-dien-17-yl)acetonitrile
SMILES and InChIs

SMILES:

O=C4\C=C3/C(=C2/CCC1(C(CCC1(O)CC#N)C2CC3)C)CC4 Copied

Std. InChI:

InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3 Copied

Std. InChIKey:

AZFLJNIPTRTECV-UHFFFAOYSA-N Copied
Cite this record
CSID:21203724, http://www.chemspider.com/Chemical-Structure.21203724.html (accessed 00:59, 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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