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English
Methyl 3-[(E)-benzoyldiazenyl]but-2-enoate
group of stereoisomers with the chemical formula C₁₂H₁₂N₂O₃
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
232.084792244
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C=C(C)/N=N/C(=O)c1ccccc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
COC(=O)C=C(C)/N=N/C(=O)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H12N2O3/c1-9(8-11(15)17-2)13-14-12(16)10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8?,14-13+
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InChIKey
PLIQXKXYPLCYRX-KGBMRERJSA-N
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CAS Registry Number
101561-12-0
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DSSTox substance ID
DTXSID80761026
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DSSTOX compound identifier
DTXCID40711769
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