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(Q82880369)
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English
4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3,2lambda~4~-dioxathiolan-2-one
group of stereoisomers with the chemical formula C₁₇H₁₂Cl₃N₃O₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
442.966495284
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₂Cl₃N₃O₃S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=S1OC(c2ccc(Cl)cc2Cl)C(Cn2cncn2)(c2ccc(Cl)cc2)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=S1O[C@H](c2ccc(Cl)cc2Cl)[C@@](Cn2cncn2)(c2ccc(Cl)cc2)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H12Cl3N3O3S/c18-12-3-1-11(2-4-12)17(8-23-10-21-9-22-23)16(25-27(24)26-17)14-6-5-13(19)7-15(14)20/h1-7,9-10,16H,8H2/t16-,17-,27?/m1/s1
0 references
InChIKey
DOHHCFXEWHXNNF-RSCHEWFFSA-N
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CAS Registry Number
107741-34-4
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PubChem CID
3007663
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
102006
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10910505
0 references
DSSTOX compound identifier
DTXCID101339552
0 references
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