5-nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine

Systemtic Name: 5-nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine Openeye Name: 5-nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine CAS Name: 5-nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine IUPAC Name: 5-nitro-4,6-bis(2,4,6-trinitrophenyl)pyrimidine Traditional Name: 5-nitro-4,6-dipicryl-pyrimidine Formula: C16H5N9O14 MolecularWeight: 547.2628

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C(=NC=N2)C3=C(C=C(C=C3[N+](=O)[O-])[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-])C2=C(C(=NC=N2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H5N9O14/c26-19(27)6-1-8(21(30)31)12(9(2-6)22(32)33)14-16(25(38)39)15(18-5-17-14)13-10(23(34)35)3-7(20(28)29)4-11(13)24(36)37/h1-5H