tris(4-azido-2-nitro-phenyl) phosphate

Systemtic Name: tris(4-azido-2-nitro-phenyl) phosphate Openeye Name: tris(4-azido-2-nitro-phenyl) phosphate CAS Name: phosphoric acid tris(4-azido-2-nitrophenyl) ester IUPAC Name: tris(4-azido-2-nitrophenyl) phosphate Traditional Name: phosphoric acid tris(4-azido-2-nitro-phenyl) ester Formula: C18H9N12O10P MolecularWeight: 584.312221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])OP(=O)(OC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])OC3=C(C=C(C=C3)N=[N+]=[N-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])OP(=O)(OC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-])OC3=C(C=C(C=C3)N=[N+]=[N-])[N+](=O)[O-]

InChI

InChI=1S/C18H9N12O10P/c19-25-22-10-1-4-16(13(7-10)28(31)32)38-41(37,39-17-5-2-11(23-26-20)8-14(17)29(33)34)40-18-6-3-12(24-27-21)9-15(18)30(35)36/h1-9H