Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(C=C1)C1=NN(C2=CC=C(I)C=C2)C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C%10=C9C9=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C(C6=C8C%11=C%26C%12=C%24C%22=C%13C%20=C%14C%18=C%10%16)C6=C%25C8=C(C%10=C%11C(C%19=C%21C%10=C%238)=C%17C(=C%15C4=C79)C12%11)C3=C56

InChIKey

InChIKey=YAUUKFPQCIEYEN-UHFFFAOYSA-N

Formula

C73H8IN3O2

Mass

1085.79

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Entity with smiles [O-][N+](=O)C1=CC=C(C=C1)C1=NN(C2=CC=C(I)C=C2)C23C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%10C%10=C9C9=C%15C%16=C%17C%18=C%19C%20=C%21C%22=C%23C%24=C%25C%26=C(C6=C8C%11=C%26C%12=C%24C%22=C%13C%20=C%14C%18=C%10%16)C6=C%25C8=C(C%10=C%11C(C%19=C%21C%10=C%238)=C%17C(=C%15C4=C79)C12%11)C3=C56 has not been classified yet.

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