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(Q82850424)
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English
(E,E)-N,N'-(Oct-4-ene-2,6-diyne-1,8-diyl)bis[1-(pyridin-2-yl)methanimine]
group of stereoisomers with the chemical formula C₂₀H₁₆N₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
312.13749651200004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₆N₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C(#CC/N=C/c1ccccn1)C=CC#CC/N=C/c1ccccn1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C(#CC/N=C/c1ccccn1)C=CC#CC/N=C/c1ccccn1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H16N4/c1(3-7-13-21-17-19-11-5-9-15-23-19)2-4-8-14-22-18-20-12-6-10-16-24-20/h1-2,5-6,9-12,15-18H,13-14H2/b2-1?,21-17+,22-18+
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InChIKey
PKJIWWLGQJVRNK-GTWZTTGKSA-N
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CAS Registry Number
372494-56-9
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DSSTox substance ID
DTXSID50855466
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DSSTOX compound identifier
DTXCID60806207
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