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Versions and log file
2-[2-(3,4-DIHYDRO-6-METHOXY-1(2H)-NAPHTHYLIDENE)ETHYL]-2-ETHYLCYCLOPENTANE-1,3-DIONE
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Keyword(s):
Human Metabolites
Molecule Category
Free-form
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Active Pharmaceutical Ingredients
Bioactive chemicals
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Similarity
SubStructure
Threshold (%) >=
70
Structure
InChI Key
OMXFYKCGCDGYNC-KAMYIIQDSA-N
Smiles
CCC1(C(=O)CCC1=O)C/C=C\2/CCCC3=C2C=CC(=C3)OC
InChI
InChI=1S/C20H24O3/c1-3-20(18(1S/C20H24O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13H,3-6,9-10,12H2,1-2H3/b14-11-
Physicochemical Descriptors
Property Name
Value
Molecular Formula
C20H24O3
Cross References
Resources
Reference
CAS NUMBER
850-92-0
NORMAN SUSDAT
NS00001515
PubChem
70062
ChemSpider
4956700.0
CONTENTS
Structure
Chemical and Physical Properties