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(Q82881380)
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English
(3-Phenoxyphenyl)methyl tricyclo[4.3.1.1~2,5~]undecane-1-carboxylate
group of stereoisomers with the chemical formula C₂₅H₂₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
376.20384475599997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(OCc1cccc(Oc2ccccc2)c1)C12CCCC(C1)C1CCC2C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C(OCc1cccc(Oc2ccccc2)c1)C12CCC[C@H](C1)[C@H]1CC[C@H]2C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H28O3/c26-24(25-13-5-7-20(16-25)19-11-12-21(25)15-19)27-17-18-6-4-10-23(14-18)28-22-8-2-1-3-9-22/h1-4,6,8-10,14,19-21H,5,7,11-13,15-17H2/t19-,20+,21-,25?/m0/s1
0 references
InChIKey
NWFXJZJRFUOKKE-UZNLOIBPSA-N
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CAS Registry Number
109667-01-8
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PubChem CID
184104
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60917527
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20911285
0 references
DSSTOX compound identifier
DTXCID001340322
0 references
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