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(Q82841157)
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English
Methyl 8-[(2S,3S)-1-(benzenesulfonyl)-3-octylaziridin-2-yl]octanoate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
451.275629792
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₄₁NO₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCCCCC1C(CCCCCCCC(=O)OC)N1S(=O)(=O)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCCCC[C@H]1[C@H](CCCCCCCC(=O)OC)N1S(=O)(=O)c1ccccc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C25H41NO4S/c1-3-4-5-6-8-14-19-23-24(20-15-9-7-10-16-21-25(27)30-2)26(23)31(28,29)22-17-12-11-13-18-22/h11-13,17-18,23-24H,3-10,14-16,19-21H2,1-2H3/t23-,24-,26?/m0/s1
0 references
InChIKey
MCHSDNWZPLDVMD-OKHNBNEASA-N
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CAS Registry Number
90159-93-6
0 references
PubChem CID
71429989
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45228140
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00848646
0 references
DSSTOX compound identifier
DTXCID60799387
0 references
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