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

Systemtic Name: (2-butan-2-yl-4,6-dinitro-phenyl) ethylsulfanylmethanoate Openeye Name: (2,4-dinitro-6-sec-butyl-phenyl) ethylsulfanylformate CAS Name: (ethylthio)formic acid (2-butan-2-yl-4,6-dinitrophenyl) ester IUPAC Name: (2-butan-2-yl-4,6-dinitrophenyl) ethylsulfanylformate Traditional Name: (ethylthio)formic acid (2,4-dinitro-6-sec-butyl-phenyl) ester Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6S/c1-4-8(3)10-6-9(14(17)18)7-11(15(19)20)12(10)21-13(16)22-5-2/h6-8H,4-5H2,1-3H3