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English
3-[(1R)-3-Hydroxy-1-phenylpropoxy]-1-phenylhex-5-en-1-one
group of stereoisomers with the chemical formula C₂₁H₂₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
324.17254462799997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CCC(CC(=O)c1ccccc1)OC(CCO)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=CCC(CC(=O)c1ccccc1)O[C@H](CCO)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H24O3/c1-2-9-19(16-20(23)17-10-5-3-6-11-17)24-21(14-15-22)18-12-7-4-8-13-18/h2-8,10-13,19,21-22H,1,9,14-16H2/t19?,21-/m1/s1
0 references
InChIKey
LPXMSZQXEQQCOU-VGAJERRHSA-N
0 references
CAS Registry Number
652146-32-2
0 references
PubChem CID
71376457
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53373714
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00799144
0 references
DSSTOX compound identifier
DTXCID60749887
0 references
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