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(Q82722226)
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English
Methyl 3-[(E)-(diethoxyphosphoryl)diazenyl]but-2-enoate
group of stereoisomers with the chemical formula C₉H₁₇N₂O₅P
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
264.087508274
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₇N₂O₅P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCOP(=O)(/N=N/C(C)=CC(=O)OC)OCC
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCOP(=O)(/N=N/C(C)=CC(=O)OC)OCC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H17N2O5P/c1-5-15-17(13,16-6-2)11-10-8(3)7-9(12)14-4/h7H,5-6H2,1-4H3/b8-7?,11-10+
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InChIKey
UMTUYIRCSCIGPC-FLZOFNJXSA-N
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CAS Registry Number
113619-28-6
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DSSTox substance ID
DTXSID50765233
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DSSTOX compound identifier
DTXCID10715976
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