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S-(3-Chloro-2-hydroxypropyl)-N-(1-hydroxyethylidene)cysteine
group of stereoisomers with the chemical formula C₈H₁₄ClNO₄S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
255.033206608
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₄ClNO₄S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(O)=NC(CSCC(O)CCl)C(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)N[C@@H](CSCC(O)CCl)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H14ClNO4S/c1-5(11)10-7(8(13)14)4-15-3-6(12)2-9/h6-7,12H,2-4H2,1H3,(H,10,11)(H,13,14)/t6?,7-/m0/s1
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InChIKey
AVEOXQDYMIQASN-MLWJPKLSSA-N
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CAS Registry Number
97729-49-2
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PubChem CID
126802
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57931089
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00913681
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DSSTOX compound identifier
DTXCID601342683
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