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(Q82440314)
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English
[(4R)-1-Hydroxy-4-(prop-1-en-2-yl)cyclohex-2-en-1-yl]methyl acetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
210.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=C(C)C1C=CC(O)(COC(C)=O)CC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=C(C)[C@H]1C=CC(O)(COC(C)=O)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H18O3/c1-9(2)11-4-6-12(14,7-5-11)8-15-10(3)13/h4,6,11,14H,1,5,7-8H2,2-3H3/t11-,12?/m0/s1
0 references
InChIKey
VFVJYMAACGYTMS-PXYINDEMSA-N
0 references
CAS Registry Number
936001-98-8
0 references
PubChem CID
14263535
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24316294
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60558138
0 references
DSSTOX compound identifier
DTXCID40508919
0 references
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