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(Q82737425)
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English
6-{[(2-Hydroxyethyl)amino]methylidene}-2-{(E)-[(2-hydroxyethyl)imino]methyl}-4-methylcyclohexa-2,4-dien-1-one
group of stereoisomers with the chemical formula C₁₃H₁₈N₂O₃
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
250.131742436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈N₂O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CC(=CNCCO)C(=O)C(/C=N/CCO)=C1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC1=CC(=CNCCO)C(=O)C(/C=N/CCO)=C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H18N2O3/c1-10-6-11(8-14-2-4-16)13(18)12(7-10)9-15-3-5-17/h6-9,14,16-17H,2-5H2,1H3/b11-8?,15-9+
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InChIKey
AATQDRPPYDLDAN-JWCIJZKPSA-N
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CAS Registry Number
174504-82-6
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DSSTox substance ID
DTXSID70775839
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DSSTOX compound identifier
DTXCID10726582
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