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1,3-bis(2,4,6-trinitrophenyl)urea

1,3-bis(2,4,6-trinitrophenyl)urea

Systemtic Name:1,3-bis(2,4,6-trinitrophenyl)urea
Openeye Name:1,3-bis(2,4,6-trinitrophenyl)urea
CAS Name:1,3-bis(2,4,6-trinitrophenyl)urea
IUPAC Name:1,3-bis(2,4,6-trinitrophenyl)urea
Traditional Name:1,3-dipicrylurea
Formula: C13H6N8O13
MolecularWeight: 482.23254
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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NC(=O)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NC(=O)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C13H6N8O13/c22-13(14-11-7(18(27)28)1-5(16(23)24)2-8(11)19(29)30)15-12-9(20(31)32)3-6(17(25)26)4-10(12)21(33)34/h1-4H,(H2,14,15,22)


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