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(Q82884015)
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English
O-{[4-(4-Chlorophenyl)-2-oxooxolan-3-yl]methyl} 4-methylbenzene-1-carbothioate
group of stereoisomers with the chemical formula C₁₉H₁₇ClO₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
360.058693084
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₇ClO₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
Cc1ccc(C(=S)OCC2C(=O)OCC2c2ccc(Cl)cc2)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
Cc1ccc(C(=S)OC[C@H]2C(=O)OCC2c2ccc(Cl)cc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H17ClO3S/c1-12-2-4-14(5-3-12)19(24)23-11-17-16(10-22-18(17)21)13-6-8-15(20)9-7-13/h2-9,16-17H,10-11H2,1H3/t16?,17-/m1/s1
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InChIKey
DGFFOHDAWJOUDP-ZYMOGRSISA-N
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CAS Registry Number
98163-67-8
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PubChem CID
3062476
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56489567
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30913417
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DSSTOX compound identifier
DTXCID301342422
0 references
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