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2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl-[d5]]-1,4-naphthalenedione

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General Information
Catalog: BLP-007753
CAS: 1189507-64-9
Molecular Formula: C22H13D5Cl2O2
Molecular Weight: 390.31

Chemical Structure

Description	2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl-[d5]]-1,4-naphthalenedione is a labelled intermediate in the preparation of Atovaquone.
Synonyms	2-[4-(4-Chlorophenyl)cyclohexyl-d5]-3-chloro-1,4-naphthalenedione
IUPAC Name	2-chloro-3-[4-(4-chlorophenyl)-1,2,2,6,6-pentadeuteriocyclohexyl]naphthalene-1,4-dione
Related CAS	129719-64-8 (unlabelled)
Isomeric SMILES	[2H]C1(CC(CC(C1([2H])C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)([2H])[2H])C4=CC=C(C=C4)Cl)[2H]
Canonical SMILES	C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C(=O)C4=CC=CC=C4C3=O)Cl
InChI	InChI=1S/C22H18Cl2O2/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)22(26)18-4-2-1-3-17(18)21(19)25/h1-4,9-13,15H,5-8H2/i7D2,8D2,15D
InChI Key	QUUMPHYEOKHOOW-YNUDWXFUSA-N
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Yellow Solid