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

Systemtic Name: 5-nitro-2,4-bis(2,4,6-trinitrophenyl)pyrimidine Openeye Name: 5-nitro-2,4-bis(2,4,6-trinitrophenyl)pyrimidine CAS Name: 5-nitro-2,4-bis(2,4,6-trinitrophenyl)pyrimidine IUPAC Name: 5-nitro-2,4-bis(2,4,6-trinitrophenyl)pyrimidine Traditional Name: 5-nitro-2,4-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=NC(=NC=C2[N+](=O)[O-])C3=C(C=C(C=C3[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=NC(=NC=C2[N+](=O)[O-])C3=C(C=C(C=C3[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)13(9(2-6)22(32)33)15-12(25(38)39)5-17-16(18-15)14-10(23(34)35)3-7(20(28)29)4-11(14)24(36)37/h1-5H