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(Q82959826)
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English
4-Chloro-3-methylphenyl 4-methylbenzene-1-sulfonate
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
296.7708
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₃ClO₃S
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canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)Cl)C
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Identifiers
InChI
InChI=1S/C14H13ClO3S/c1-10-3-6-13(7-4-10)19(16,17)18-12-5-8-14(15)11(2)9-12/h3-9H,1-2H3
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InChIKey
CGPJEKIQZSYWLP-UHFFFAOYSA-N
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CAS Registry Number
599-85-9
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PubChem CID
220702
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UniChem compound ID
11008996
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50975310
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DSSTOX compound identifier
DTXCID001402716
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NSC number
3794
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97268
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