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(Q82826096)
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English
Diethyl N-(3-chloropropane-1-sulfonyl)-L-aspartate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
329.06998604
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₂₀ClNO₆S
0 references
canonical SMILES
CCOC(=O)CC(NS(=O)(=O)CCCCl)C(=O)OCC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCOC(=O)C[C@@H](C(=O)OCC)NS(=O)(=O)CCCCl
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Identifiers
InChI
InChI=1S/C11H20ClNO6S/c1-3-18-10(14)8-9(11(15)19-4-2)13-20(16,17)7-5-6-12/h9,13H,3-8H2,1-2H3/t9-/m0/s1
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InChIKey
RPVHEBRHLVBFFE-VIFPVBQESA-N
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CAS Registry Number
824429-41-6
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PubChem CID
71418510
1 reference
matched by identifier from
InChIKey
InChIKey
RPVHEBRHLVBFFE-VIFPVBQESA-N
UniChem compound ID
46741818
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20837810
1 reference
matched by identifier from
InChIKey
InChIKey
RPVHEBRHLVBFFE-VIFPVBQESA-N
DSSTOX compound identifier
DTXCID40788552
0 references
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