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(Q82834760)
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English
(1S)-1-(2-Phenylethenyl)-5-oxaspiro[2.5]oct-7-en-4-one
group of stereoisomers with the chemical formula C₁₅H₁₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
226.099379688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₄O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1OCC=CC12CC2C=Cc1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1OCC=CC12C[C@H]2C=Cc1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H14O2/c16-14-15(9-4-10-17-14)11-13(15)8-7-12-5-2-1-3-6-12/h1-9,13H,10-11H2/t13-,15?/m1/s1
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InChIKey
VOSOYSQEZUYZHL-AFYYWNPRSA-N
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CAS Registry Number
919299-08-4
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PubChem CID
71425250
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67603751
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10844038
0 references
DSSTOX compound identifier
DTXCID50794780
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