Atovaquone

ChemSpider ID: 21258076
Molecular Formula: C₂₂H₁₉ClO₃
Average mass: 366.837006 Da
Monoisotopic mass: 366.10199 Da
Systematic name

2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-naphthalene-1,4-dione
SMILES and InChIs

SMILES:

OC=4C(=O)c1ccccc1C(=O)C=4C2CC[C@H](CC2)c3ccc(Cl)cc3 Copied

Std. InChI:

InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15? Copied

Std. InChIKey:

KUCQYCKVKVOKAY-AZZIRIGVSA-N Copied
Cite this record
CSID:21258076, http://www.chemspider.com/Chemical-Structure.21258076.html (accessed 05:08, May 20, 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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