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(Q82828439)
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English
4-tert-Butyl-6-[(4-methylanilino)methylidene]-2-{(E)-[(4-methylphenyl)imino]methyl}cyclohexa-2,4-dien-1-one
group of stereoisomers with the chemical formula C₂₆H₂₈N₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
384.22016351599996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₈N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1ccc(/N=C/C2=CC(C(C)(C)C)=CC(=CNc3ccc(C)cc3)C2=O)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
Cc1ccc(/N=C/C2=CC(C(C)(C)C)=CC(=CNc3ccc(C)cc3)C2=O)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H28N2O/c1-18-6-10-23(11-7-18)27-16-20-14-22(26(3,4)5)15-21(25(20)29)17-28-24-12-8-19(2)9-13-24/h6-17,27H,1-5H3/b20-16?,28-17+
0 references
InChIKey
QHBJVXHVUMVXHA-NXBKCGHYSA-N
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CAS Registry Number
820212-71-3
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DSSTox substance ID
DTXSID10839702
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DSSTOX compound identifier
DTXCID50790444
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