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(Q82883534)
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English
(3-Phenoxyphenyl)methyl 6-methyl-4-(pentan-3-ylidene)bicyclo[3.1.0]hex-2-ene-6-carboxylate
group of stereoisomers with the chemical formula C₂₆H₂₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
388.20384475599997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(CC)=C1C=CC2C1C2(C)C(=O)OCc1cccc(Oc2ccccc2)c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(CC)=C1C=C[C@H]2[C@@H]1C2(C)C(=O)OCc1cccc(Oc2ccccc2)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H28O3/c1-4-19(5-2)22-14-15-23-24(22)26(23,3)25(27)28-17-18-10-9-13-21(16-18)29-20-11-7-6-8-12-20/h6-16,23-24H,4-5,17H2,1-3H3/t23-,24+,26?/m0/s1
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InChIKey
SQBRQKSJZUAFMU-GPTJOGTASA-N
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CAS Registry Number
98875-12-8
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PubChem CID
176817
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57336907
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00913020
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DSSTOX compound identifier
DTXCID601342033
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