methyl 2-(3,5-dinitrophenyl)sulfanylethanoate

Systemtic Name: methyl 2-(3,5-dinitrophenyl)sulfanylethanoate Openeye Name: methyl 2-(3,5-dinitrophenyl)sulfanylacetate CAS Name: 2-[(3,5-dinitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3,5-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(3,5-dinitrophenyl)thio]acetic acid methyl ester Formula: C9H8N2O6S MolecularWeight: 272.23462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O6S/c1-17-9(12)5-18-8-3-6(10(13)14)2-7(4-8)11(15)16/h2-4H,5H2,1H3