3,5-dinitro-2-(4-oxidanidylpyrimidin-2-yl)sulfanyl-benzoate

Systemtic Name: 3,5-dinitro-2-(4-oxidanidylpyrimidin-2-yl)sulfanyl-benzoate Openeye Name: 3,5-dinitro-2-(4-oxidopyrimidin-2-yl)sulfanyl-benzoate CAS Name: 3,5-dinitro-2-[(4-oxido-2-pyrimidinyl)thio]benzoate IUPAC Name: 3,5-dinitro-2-(4-oxidopyrimidin-2-yl)sulfanylbenzoate Traditional Name: 3,5-dinitro-2-[(4-oxidopyrimidin-2-yl)thio]benzoate Formula: C11H4N4O7S-2 MolecularWeight: 336.23706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1[O-])SC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1[O-])SC2=C(C=C(C=C2C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H6N4O7S/c16-8-1-2-12-11(13-8)23-9-6(10(17)18)3-5(14(19)20)4-7(9)15(21)22/h1-4H,(H,17,18)(H,12,13,16)/p-2