2,5-bis(3,5-dimethoxy-2,4,6-trinitro-phenyl)-1,3,4-oxadiazole

Systemtic Name: 2,5-bis(3,5-dimethoxy-2,4,6-trinitro-phenyl)-1,3,4-oxadiazole Openeye Name: 2,5-bis(3,5-dimethoxy-2,4,6-trinitro-phenyl)-1,3,4-oxadiazole CAS Name: 2,5-bis(3,5-dimethoxy-2,4,6-trinitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2,5-bis(3,5-dimethoxy-2,4,6-trinitrophenyl)-1,3,4-oxadiazole Traditional Name: 2,5-bis(3,5-dimethoxy-2,4,6-trinitro-phenyl)-1,3,4-oxadiazole Formula: C18H12N8O17 MolecularWeight: 612.33128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1[N+](=O)[O-])C2=NN=C(O2)C3=C(C(=C(C(=C3[N+](=O)[O-])OC)[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=C(C(=C1[N+](=O)[O-])C2=NN=C(O2)C3=C(C(=C(C(=C3[N+](=O)[O-])OC)[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-]

InChI

InChI=1S/C18H12N8O17/c1-39-13-7(21(27)28)5(8(22(29)30)14(40-2)11(13)25(35)36)17-19-20-18(43-17)6-9(23(31)32)15(41-3)12(26(37)38)16(42-4)10(6)24(33)34/h1-4H3