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(Q82656330)
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English
(1Z)-3,12-Dinonyl-1,2-diazacyclododeca-1,5,9-triene
group of stereoisomers with the chemical formula C₂₈H₅₂N₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
416.413049664
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₅₂N₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCC1CC=CCCC=CCC(CCCCCCCCC)/N=N\1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCCCCCCC1CC=CCCC=CCC(CCCCCCCCC)/N=N\1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H52N2/c1-3-5-7-9-11-15-19-23-27-25-21-17-13-14-18-22-26-28(30-29-27)24-20-16-12-10-8-6-4-2/h17-18,21-22,27-28H,3-16,19-20,23-26H2,1-2H3/b21-17?,22-18?,30-29-
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InChIKey
BBTRCYYUMSSYHU-FIATYAKDSA-N
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CAS Registry Number
70927-51-4
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DSSTox substance ID
DTXSID90718122
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DSSTOX compound identifier
DTXCID20668868
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