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(Q82405412)
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English
4-{[5-(Methanesulfonyl)pentyl]oxy}benzoic acid
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
286.087494676
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₈O₅S
0 references
canonical SMILES
CS(=O)(=O)CCCCCOC1=CC=C(C=C1)C(=O)O
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Identifiers
InChI
InChI=1S/C13H18O5S/c1-19(16,17)10-4-2-3-9-18-12-7-5-11(6-8-12)13(14)15/h5-8H,2-4,9-10H2,1H3,(H,14,15)
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InChIKey
JIYXYPJOCPXTMO-UHFFFAOYSA-N
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CAS Registry Number
90183-99-6
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PubChem CID
13259498
1 reference
matched by identifier from
InChIKey
InChIKey
JIYXYPJOCPXTMO-UHFFFAOYSA-N
UniChem compound ID
52677866
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70532646
1 reference
matched by identifier from
InChIKey
InChIKey
JIYXYPJOCPXTMO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00483435
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