2,5-bis(3-methoxy-2,4,6-trinitro-phenyl)-1,3,4-thiadiazole

Systemtic Name: 2,5-bis(3-methoxy-2,4,6-trinitro-phenyl)-1,3,4-thiadiazole Openeye Name: 2,5-bis(3-methoxy-2,4,6-trinitro-phenyl)-1,3,4-thiadiazole CAS Name: 2,5-bis(3-methoxy-2,4,6-trinitrophenyl)-1,3,4-thiadiazole IUPAC Name: 2,5-bis(3-methoxy-2,4,6-trinitrophenyl)-1,3,4-thiadiazole Traditional Name: 2,5-bis(3-methoxy-2,4,6-trinitro-phenyl)-1,3,4-thiadiazole Formula: C16H8N8O14S MolecularWeight: 568.34492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1[N+](=O)[O-])C2=NN=C(S2)C3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C(=C1[N+](=O)[O-])C2=NN=C(S2)C3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])OC)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H8N8O14S/c1-37-13-7(21(29)30)3-5(19(25)26)9(11(13)23(33)34)15-17-18-16(39-15)10-6(20(27)28)4-8(22(31)32)14(38-2)12(10)24(35)36/h3-4H,1-2H3