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English
3-[(2-Tetradecyloxiran-2-yl)methoxy]-4-(trimethylazaniumyl)butanoate
group of stereoisomers with the chemical formula C₂₄H₄₇NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
413.350508984
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₄₇NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCCCCCCCC1(COC(CC(=O)[O-])C[N+](C)(C)C)CO1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCCCCCCCC[C@]1(COC(CC(=O)[O-])C[N+](C)(C)C)CO1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24(21-29-24)20-28-22(18-23(26)27)19-25(2,3)4/h22H,5-21H2,1-4H3/t22?,24-/m0/s1
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InChIKey
HQZALNBQBXUBIQ-GITCGBDTSA-N
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CAS Registry Number
105201-53-4
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PubChem CID
196388
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
59895430
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70909379
0 references
DSSTOX compound identifier
DTXCID601338442
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