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(Q83053551)
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English
Benzenesulfonic acid, p-bromo-, 2-pentyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
305.99252744000006
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₅BrO₃S
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canonical SMILES
CCC(CC)OS(=O)(=O)C1=CC=C(C=C1)Br
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Identifiers
InChI
InChI=1S/C11H15BrO3S/c1-3-10(4-2)15-16(13,14)11-7-5-9(12)6-8-11/h5-8,10H,3-4H2,1-2H3
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InChIKey
LCTUSXSKTRDINC-UHFFFAOYSA-N
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CAS Registry Number
28691-33-0
1 reference
InChIKey
LCTUSXSKTRDINC-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=28691-33-0
PubChem CID
206767
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UniChem compound ID
60895521
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90182849
1 reference
matched by identifier from
InChIKey
InChIKey
LCTUSXSKTRDINC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80105340
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