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(Q1911)
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instance of
chemical compound
0 references
SMILES (without stereochemistry)
C1=CC(=C(C(=C1)Cl)N(C2=C(C=C(C=C2)O)CC(=O)O)O)Cl
0 references
chemical formula
C₁₄H₁₁Cl₂NO₄
1 reference
based on heuristic
inferred from SMILES
mass
328.1478
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C14H11Cl2NO4/c15-10-2-1-3-11(16)14(10)17(21)12-5-4-9(18)6-8(12)7-13(19)20/h1-6,18,21H,7H2,(H,19,20)
1 reference
based on heuristic
inferred from SMILES
InChIKey
KPXTUWFWKOJDLM-UHFFFAOYSA-N
0 references
PubChem CID
10065052
1 reference
based on heuristic
inferred from InChIKey
xenobiotic metabolism pathway
WP2491
0 references