O-[1-[(2S)-1-nitropropan-2-yl]oxybutyl] ethanethioate

Systemtic Name: O-[1-[(2S)-1-nitropropan-2-yl]oxybutyl] ethanethioate Openeye Name: O-[1-[(1S)-1-methyl-2-nitro-ethoxy]butyl] ethanethioate CAS Name: ethanethioic acid O-[1-[(2S)-1-nitropropan-2-yl]oxybutyl] ester IUPAC Name: O-[1-[(2S)-1-nitropropan-2-yl]oxybutyl] ethanethioate Traditional Name: ethanethioic acid O-[1-[(1S)-1-methyl-2-nitro-ethoxy]butyl] ester Formula: C9H17NO4S MolecularWeight: 235.30058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(O[C@@H](C)C[N+](=O)[O-])OC(=S)C

InChI

InChI=1S/C9H17NO4S/c1-4-5-9(14-8(3)15)13-7(2)6-10(11)12/h7,9H,4-6H2,1-3H3/t7-,9?/m0/s1