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(Q83086236)
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English
Propanol, 3-((2-chloro-3-benzo(b)thienyl)amino)-, S,S-dioxide
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
273.7373
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂ClNO₃S
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canonical SMILES
C1=CC=C2C(=C1)C(=C(S2(=O)=O)Cl)NCCCO
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Identifiers
InChI
InChI=1S/C11H12ClNO3S/c12-11-10(13-6-3-7-14)8-4-1-2-5-9(8)17(11,15)16/h1-2,4-5,13-14H,3,6-7H2
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InChIKey
PXHDGIVITJLGPE-UHFFFAOYSA-N
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CAS Registry Number
62268-30-8
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PubChem CID
3046527
1 reference
matched by identifier from
InChIKey
InChIKey
PXHDGIVITJLGPE-UHFFFAOYSA-N
UniChem compound ID
66758065
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30211329
1 reference
matched by identifier from
InChIKey
InChIKey
PXHDGIVITJLGPE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80133820
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