Chemical Compounds of Interest

(Q4987)

Statements

SMILES (without stereochemistry)
COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
0 references
chemical formula
C₁₇H₁₁NO₇
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
1 reference
based on heuristic
inferred from SMILES
AOP-Wiki Stressor ID
284
0 references
 
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