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(Q82265127)
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English
CTK0A6657
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
226.066365308
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₄O₃S
0 references
canonical SMILES
O=S(=O)(c1ccccc1)C1CCCC1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@@H]([C@@H](C1)S(=O)(=O)C2=CC=CC=C2)O
0 references
Identifiers
InChI
InChI=1S/C11H14O3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2/t10-,11+/m0/s1
0 references
InChIKey
ZAMKASADTUQKPZ-WDEREUQCSA-N
0 references
CAS Registry Number
180036-19-5
0 references
PubChem CID
10867999
1 reference
matched by identifier from
InChIKey
InChIKey
ZAMKASADTUQKPZ-WDEREUQCSA-N
UniChem compound ID
34653359
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50446479
1 reference
matched by identifier from
InChIKey
InChIKey
ZAMKASADTUQKPZ-WDEREUQCSA-N
DSSTOX compound identifier
DTXCID40397300
0 references
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