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English
(2S,3S)-1,4-dichloro-2,3-butanediol
chemical compound
1,4-Dichlorobutane-2S-3S-diol
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Statements
instance of
type of chemical entity
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1,4-dichloro-2,3-butanediol
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subclass of
1,4-dichloro-2,3-butanediol
1 reference
based on heuristic
inferred from SMILES
mass
157.990134856
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₄H₈Cl₂O₂
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canonical SMILES
C(C(C(CCl)O)O)Cl
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isomeric SMILES
C([C@H]([C@@H](CCl)O)O)Cl
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Identifiers
InChI
InChI=1S/C4H8Cl2O2/c5-1-3(7)4(8)2-6/h3-4,7-8H,1-2H2/t3-,4-/m1/s1
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InChIKey
SAUBRJOIKMVSRU-QWWZWVQMSA-N
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CAS Registry Number
139165-54-1
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PubChem CID
7015309
1 reference
matched by identifier from
InChIKey
InChIKey
SAUBRJOIKMVSRU-QWWZWVQMSA-N
UniChem compound ID
23721393
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20426728
1 reference
matched by identifier from
InChIKey
InChIKey
SAUBRJOIKMVSRU-QWWZWVQMSA-N
DSSTOX compound identifier
DTXCID00377562
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