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(Q82995746)
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English
1-(4-Oxo-3,4-dihydropyridin-1-ium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate
chemical compound
1-(4-oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
459.2749746939999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₄₂NO₆P
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCOCCOCCOP([O-])OCC[N+]1=CCC(=O)C=C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C23H42NO6P/c1-2-3-4-5-6-7-8-9-10-11-17-27-19-20-28-21-22-30-31(26)29-18-16-24-14-12-23(25)13-15-24/h12,14-15H,2-11,13,16-22H2,1H3
0 references
InChIKey
JHTGIEJZDOSLEJ-UHFFFAOYSA-N
0 references
CAS Registry Number
81051-35-6
reason for deprecated rank
cannot be confirmed by other sources
0 references
85540-96-1
reason for deprecated rank
deprecated identifier value
0 references
DSSTox substance ID
DTXSID401001738
0 references
DTXSID50276339
0 references
DSSTOX compound identifier
DTXCID201319553
0 references
DTXCID20227651
0 references
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