3,5-dinitro-4-pyrimidin-2-ylsulfanyl-benzoate

Systemtic Name: 3,5-dinitro-4-pyrimidin-2-ylsulfanyl-benzoate Openeye Name: 3,5-dinitro-4-pyrimidin-2-ylsulfanyl-benzoate CAS Name: 3,5-dinitro-4-(2-pyrimidinylthio)benzoate IUPAC Name: 3,5-dinitro-4-pyrimidin-2-ylsulfanylbenzoate Traditional Name: 3,5-dinitro-4-(2-pyrimidylthio)benzoate Formula: C11H5N4O6S- MolecularWeight: 321.2456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H6N4O6S/c16-10(17)6-4-7(14(18)19)9(8(5-6)15(20)21)22-11-12-2-1-3-13-11/h1-5H,(H,16,17)/p-1