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English
Benzenesulfonic acid, 4-methyl-, cyclohexyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
254.3468
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O₃S
0 references
canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2
0 references
melting point
46.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C13H18O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
0 references
InChIKey
OHHPZPDQZMUTCA-UHFFFAOYSA-N
0 references
CAS Registry Number
953-91-3
1 reference
InChIKey
OHHPZPDQZMUTCA-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=953-91-3
PubChem CID
13722
0 references
UniChem compound ID
11594417
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID3061348
0 references
DSSTOX compound identifier
DTXCID1048962
0 references
NSC number
122484
0 references
127370
0 references
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