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(Q82691358)
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English
Methyl (2xi)-4-C-(4-chlorobenzoyl)-1-(4-chlorophenyl)-5-deoxy-L-erythro-hexuronate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
440.0429582759999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₈Cl₂O₇
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)CC(O)(C(=O)c1ccc(Cl)cc1)C(O)C(O)C(=O)c1ccc(Cl)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C[C@@](O)(C(=O)c1ccc(Cl)cc1)[C@H](O)C(O)C(=O)c1ccc(Cl)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H18Cl2O7/c1-29-15(23)10-20(28,18(26)12-4-8-14(22)9-5-12)19(27)17(25)16(24)11-2-6-13(21)7-3-11/h2-9,17,19,25,27-28H,10H2,1H3/t17?,19-,20-/m1/s1
0 references
InChIKey
XYRDGHQDDWNESS-IPNZSQQUSA-N
0 references
CAS Registry Number
99886-53-0
0 references
PubChem CID
70701104
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51341155
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80743882
0 references
DSSTOX compound identifier
DTXCID60694626
0 references
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