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(Q82813772)
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English
N-Hydroxy-1-[(2E)-4-methyl-2-(pentylimino)-1,3-thiazol-5(2H)-ylidene]ethan-1-amine
group of stereoisomers with the chemical formula C₁₁H₁₉N₃OS
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
241.124883228
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₉N₃OS
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCC/N=C1\N=C(C)C(=C(C)NO)S1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCC/N=C1\N=C(C)C(=C(C)NO)S1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H19N3OS/c1-4-5-6-7-12-11-13-8(2)10(16-11)9(3)14-15/h14-15H,4-7H2,1-3H3/b10-9?,12-11+
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InChIKey
ROHUHQGLHGLWRR-HDNPOCAZSA-N
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CAS Registry Number
88324-01-0
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DSSTox substance ID
DTXSID50828872
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DSSTOX compound identifier
DTXCID10779614
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