methyl 2-(2-methyl-3,5-dinitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(2-methyl-3,5-dinitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-methyl-3,5-dinitro-phenyl)sulfanylacetate CAS Name: 2-[(2-methyl-3,5-dinitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-methyl-3,5-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2-methyl-3,5-dinitro-phenyl)thio]acetic acid methyl ester Formula: C10H10N2O6S MolecularWeight: 286.2612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1SCC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1SCC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O6S/c1-6-8(12(16)17)3-7(11(14)15)4-9(6)19-5-10(13)18-2/h3-4H,5H2,1-2H3