ethyl 2-(3,5-dinitropyridin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3,5-dinitropyridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-[(3,5-dinitro-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3,5-dinitro-2-pyridinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dinitropyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3,5-dinitro-2-pyridyl)thio]acetic acid ethyl ester Formula: C9H9N3O6S MolecularWeight: 287.24926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C=N1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C=N1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6S/c1-2-18-8(13)5-19-9-7(12(16)17)3-6(4-10-9)11(14)15/h3-4H,2,5H2,1H3