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(Q5001)
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instance of
type of a chemical entity
0 references
SMILES (without stereochemistry)
CS(=O)(=O)NC1=C(C=C2C(=C1)OC=C(C2=O)NC=O)OC3=CC=CC=C3
0 references
chemical formula
C₁₇H₁₄N₂O₆S
1 reference
based on heuristic
inferred from SMILES
mass
374.3696
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)
1 reference
based on heuristic
inferred from SMILES
InChIKey
ANMATWQYLIFGOK-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
124246
1 reference
based on heuristic
inferred from InChIKey
AOP-Wiki Stressor ID
614
0 references
part of
AOP-Wiki Prototypical Stressors
0 references