(2,4,6-trinitrophenyl) 3-phenylpropanoate

Systemtic Name: (2,4,6-trinitrophenyl) 3-phenylpropanoate Openeye Name: (2,4,6-trinitrophenyl) 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid (2,4,6-trinitrophenyl) ester IUPAC Name: (2,4,6-trinitrophenyl) 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid picryl ester Formula: C15H11N3O8 MolecularWeight: 361.26314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O8/c19-14(7-6-10-4-2-1-3-5-10)26-15-12(17(22)23)8-11(16(20)21)9-13(15)18(24)25/h1-5,8-9H,6-7H2