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(Q82863601)
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English
Ethanol, 2-methoxy-, 1-(4-methylbenzenesulfonate)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
230.2822
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₄O₄S
0 references
canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOC
0 references
Identifiers
InChI
InChI=1S/C10H14O4S/c1-9-3-5-10(6-4-9)15(11,12)14-8-7-13-2/h3-6H,7-8H2,1-2H3
0 references
InChIKey
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
0 references
CAS Registry Number
17178-10-8
0 references
PubChem CID
86977
1 reference
matched by identifier from
InChIKey
InChIKey
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL85631
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
UniChem compound ID
2242992
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00884963
1 reference
matched by identifier from
InChIKey
InChIKey
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
DTXSID80891256
1 reference
matched by identifier from
InChIKey
InChIKey
TZXJJSAQSRHKCZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301024379
0 references
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