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(Q82662345)
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English
(2S,4R)-5,5-Dimethyl-3-(4-methylbenzene-1-sulfonyl)-4-(2-methylpropyl)-1,2lambda~4~,3-oxathiazolidin-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
345.10685021600005
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₃NO₄S₂
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canonical SMILES
Cc1ccc(S(=O)(=O)N2C(CC(C)C)C(C)(C)OS2=O)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](C(O[S@@]2=O)(C)C)CC(C)C
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Identifiers
InChI
InChI=1S/C15H23NO4S2/c1-11(2)10-14-15(4,5)20-21(17)16(14)22(18,19)13-8-6-12(3)7-9-13/h6-9,11,14H,10H2,1-5H3/t14-,21+/m1/s1
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InChIKey
KKYCAZWRVFLQGR-SZNDQCEHSA-N
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CAS Registry Number
877994-38-2
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PubChem CID
57355069
1 reference
matched by identifier from
InChIKey
InChIKey
KKYCAZWRVFLQGR-SZNDQCEHSA-N
UniChem compound ID
43060806
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00722871
1 reference
matched by identifier from
InChIKey
InChIKey
KKYCAZWRVFLQGR-SZNDQCEHSA-N
DSSTOX compound identifier
DTXCID40673616
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