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(Q82828438)
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English
6-[(4-Bromoanilino)methylidene]-2-{(E)-[(4-bromophenyl)imino]methyl}-4-methylcyclohexa-2,4-dien-1-one
group of stereoisomers with the chemical formula C₂₁H₁₆Br₂N₂O
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
469.962937332
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₆Br₂N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CC(=CNc2ccc(Br)cc2)C(=O)C(/C=N/c2ccc(Br)cc2)=C1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CC1=CC(=CNc2ccc(Br)cc2)C(=O)C(/C=N/c2ccc(Br)cc2)=C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H16Br2N2O/c1-14-10-15(12-24-19-6-2-17(22)3-7-19)21(26)16(11-14)13-25-20-8-4-18(23)5-9-20/h2-13,24H,1H3/b15-12?,25-13+
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InChIKey
LOEKJLFSWRUYRM-LWBYCEHGSA-N
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CAS Registry Number
820212-72-4
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DSSTox substance ID
DTXSID50839701
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DSSTOX compound identifier
DTXCID90790443
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