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(Q83109986)
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
519.3573
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₁₈IN₃O₃S
0 references
canonical SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)I
0 references
Identifiers
InChI
InChI=1S/C21H18IN3O3S/c1-28-20-12-14(25-29(2,26)27)8-10-19(20)24-21-15-5-3-4-6-17(15)23-18-9-7-13(22)11-16(18)21/h3-12,25H,1-2H3,(H,23,24)
0 references
InChIKey
GJMRKFBOQXQBOD-UHFFFAOYSA-N
0 references
CAS Registry Number
79453-39-7
0 references
PubChem CID
154959
1 reference
matched by identifier from
InChIKey
InChIKey
GJMRKFBOQXQBOD-UHFFFAOYSA-N
UniChem compound ID
401305
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30229681
1 reference
matched by identifier from
InChIKey
InChIKey
GJMRKFBOQXQBOD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80152172
0 references
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