(2-butan-2-yl-4,6-dinitro-phenyl) methylsulfanylmethanoate

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) methylsulfanylmethanoate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) methylsulfanylformate CAS Name: (methylthio)formic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) methylsulfanylformate Traditional Name: (methylthio)formic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC(=O)SC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC(=O)SC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-4-7(2)9-5-8(13(16)17)6-10(14(18)19)11(9)20-12(15)21-3/h5-7H,4H2,1-3H3