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(Q63409573)
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English
octyl 4-methylbenzenesulfonate
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
284.144615628
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₄O₃S
0 references
canonical SMILES
CCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)C
0 references
Identifiers
InChI
InChI=1S/C15H24O3S/c1-3-4-5-6-7-8-13-18-19(16,17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
0 references
InChIKey
LYQJBZLAANNIER-UHFFFAOYSA-N
0 references
CAS Registry Number
3386-35-4
0 references
PubChem CID
599296
1 reference
matched by identifier from
InChIKey
InChIKey
LYQJBZLAANNIER-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL345885
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LYQJBZLAANNIER-UHFFFAOYSA-N
UniChem compound ID
23319130
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP004783
0 references
DSSTox substance ID
DTXSID70344766
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
LYQJBZLAANNIER-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30295841
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