3,5-dinitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-benzoate

Systemtic Name: 3,5-dinitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-benzoate Openeye Name: 3,5-dinitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-benzoate CAS Name: 3,5-dinitro-4-[(4,5,6-trimethyl-2-pyrimidinyl)thio]benzoate IUPAC Name: 3,5-dinitro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzoate Traditional Name: 3,5-dinitro-4-[(4,5,6-trimethylpyrimidin-2-yl)thio]benzoate Formula: C14H11N4O6S- MolecularWeight: 363.32534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C(N=C(N=C1C)SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C14H12N4O6S/c1-6-7(2)15-14(16-8(6)3)25-12-10(17(21)22)4-9(13(19)20)5-11(12)18(23)24/h4-5H,1-3H3,(H,19,20)/p-1