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English
Methyl 7-{(3R)-3-[(oxan-2-yl)oxy]-5-oxocyclopent-1-en-1-yl}heptanoate
group of stereoisomers with the chemical formula C₁₈H₂₈O₅
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
324.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₈O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)CCCCCCC1=CC(OC2CCCCO2)CC1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)CCCCCCC1=C[C@H](OC2CCCCO2)CC1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H28O5/c1-21-17(20)9-5-3-2-4-8-14-12-15(13-16(14)19)23-18-10-6-7-11-22-18/h12,15,18H,2-11,13H2,1H3/t15-,18?/m0/s1
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InChIKey
RMSROFOPTSOXCN-BUSXIPJBSA-N
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CAS Registry Number
60934-42-1
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PubChem CID
13216834
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
26045826
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70529011
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DSSTOX compound identifier
DTXCID80479816
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