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(Q82747529)
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English
(9S)-8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl 2-methylbutanoate
group of stereoisomers with the chemical formula C₁₉H₂₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
330.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C)C(=O)OC1Cc2c(ccc3ccc(=O)oc23)OC1(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC(C)C(=O)O[C@H]1Cc2c(ccc3ccc(=O)oc23)OC1(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H22O5/c1-5-11(2)18(21)22-15-10-13-14(24-19(15,3)4)8-6-12-7-9-16(20)23-17(12)13/h6-9,11,15H,5,10H2,1-4H3/t11?,15-/m0/s1
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InChIKey
SNISDAOCVKRKNG-MHTVFEQDSA-N
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CAS Registry Number
2221-62-7
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PubChem CID
71359063
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49006256
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40782939
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DSSTOX compound identifier
DTXCID80733682
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