S-[3-(3-ethanoylsulfanyl-2-methyl-1-nitro-hexan-3-yl)oxy-2-methyl-1-nitro-hexan-3-yl] ethanethioate

Systemtic Name: S-[3-(3-ethanoylsulfanyl-2-methyl-1-nitro-hexan-3-yl)oxy-2-methyl-1-nitro-hexan-3-yl] ethanethioate Openeye Name: S-[1-[1-acetylsulfanyl-1-(1-methyl-2-nitro-ethyl)butoxy]-1-(1-methyl-2-nitro-ethyl)butyl] ethanethioate CAS Name: ethanethioic acid S-[3-[3-(acetylthio)-2-methyl-1-nitrohexan-3-yl]oxy-2-methyl-1-nitrohexan-3-yl] ester IUPAC Name: S-[3-(3-acetylsulfanyl-2-methyl-1-nitrohexan-3-yl)oxy-2-methyl-1-nitrohexan-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[1-(acetylthio)-1-(1-methyl-2-nitro-ethyl)butoxy]-1-(1-methyl-2-nitro-ethyl)butyl] ester Formula: C18H32N2O7S2 MolecularWeight: 452.58588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O7S2/c1-7-9-17(28-15(5)21,13(3)11-19(23)24)27-18(10-8-2,29-16(6)22)14(4)12-20(25)26/h13-14H,7-12H2,1-6H3