methyl 2-(4-methyl-3,5-dinitro-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-methyl-3,5-dinitro-phenyl)sulfanylethanoate Openeye Name: methyl 2-(4-methyl-3,5-dinitro-phenyl)sulfanylacetate CAS Name: 2-[(4-methyl-3,5-dinitrophenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-methyl-3,5-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(4-methyl-3,5-dinitro-phenyl)thio]acetic acid methyl ester Formula: C10H10N2O6S MolecularWeight: 286.2612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])SCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])SCC(=O)OC)[N+](=O)[O-]

InChI

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