S-[2-(2-ethanoylsulfanyl-4-nitro-butan-2-yl)oxy-4-nitro-butan-2-yl] ethanethioate

Systemtic Name: S-[2-(2-ethanoylsulfanyl-4-nitro-butan-2-yl)oxy-4-nitro-butan-2-yl] ethanethioate Openeye Name: S-[1-(1-acetylsulfanyl-1-methyl-3-nitro-propoxy)-1-methyl-3-nitro-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-(acetylthio)-4-nitrobutan-2-yl]oxy-4-nitrobutan-2-yl] ester IUPAC Name: S-[2-(2-acetylsulfanyl-4-nitrobutan-2-yl)oxy-4-nitrobutan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[1-(acetylthio)-1-methyl-3-nitro-propoxy]-1-methyl-3-nitro-propyl] ester Formula: C12H20N2O7S2 MolecularWeight: 368.4264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(C)(CC[N+](=O)[O-])OC(C)(CC[N+](=O)[O-])SC(=O)C

Isomeric SMILES

CC(=O)SC(C)(CC[N+](=O)[O-])OC(C)(CC[N+](=O)[O-])SC(=O)C

InChI

InChI=1S/C12H20N2O7S2/c1-9(15)22-11(3,5-7-13(17)18)21-12(4,23-10(2)16)6-8-14(19)20/h5-8H2,1-4H3