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(Q82467772)
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English
(6E)-6-{[(Quinolin-2(1H)-ylidene)methyl]imino}cyclohexa-2,4-dien-1-one
group of stereoisomers with the chemical formula C₁₆H₁₂N₂O
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
248.094963004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₂N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1C=CC=C/C1=N\C=C1C=Cc2ccccc2N1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
O=C1C=CC=C/C1=N\C=C1C=Cc2ccccc2N1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H12N2O/c19-16-8-4-3-7-15(16)17-11-13-10-9-12-5-1-2-6-14(12)18-13/h1-11,18H/b13-11?,17-15+
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InChIKey
WUWXOFBUGIVMRT-BPTOFFOOSA-N
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CAS Registry Number
5603-14-5
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DSSTox substance ID
DTXSID30577694
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DSSTOX compound identifier
DTXCID90528465
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