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

Systemtic Name: (2,4-dinitro-6-octan-2-yl-phenyl) methylsulfanylmethanoate Openeye Name: [2-(1-methylheptyl)-4,6-dinitro-phenyl] methylsulfanylformate CAS Name: (methylthio)formic acid (2,4-dinitro-6-octan-2-ylphenyl) ester IUPAC Name: (2,4-dinitro-6-octan-2-ylphenyl) methylsulfanylformate Traditional Name: (methylthio)formic acid [2-(1-methylheptyl)-4,6-dinitro-phenyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-4-5-6-7-8-11(2)13-9-12(17(20)21)10-14(18(22)23)15(13)24-16(19)25-3/h9-11H,4-8H2,1-3H3