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English
2-Methyl-3-buten-1-ol p-toluenesulfonate
chemical compound
3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
240.082015372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC(C)COS(=O)(=O)c1ccc(C)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H16O3S/c1-4-10(2)9-15-16(13,14)12-7-5-11(3)6-8-12/h4-8,10H,1,9H2,2-3H3
0 references
InChIKey
QEDLZPCODIVQPU-UHFFFAOYSA-N
0 references
CAS Registry Number
58977-11-0
reason for deprecated rank
deprecated identifier value
0 references
71394-00-8
1 reference
InChIKey
QEDLZPCODIVQPU-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=71394-00-8
PubChem CID
117137
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51586061
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10276193
0 references
DTXSID60887894
0 references
DSSTOX compound identifier
DTXCID80227531
0 references
DTXCID60876440
0 references
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