S-[1-(1-nitropropan-2-yloxy)butyl] ethanethioate

Systemtic Name: S-[1-(1-nitropropan-2-yloxy)butyl] ethanethioate Openeye Name: S-[1-(1-methyl-2-nitro-ethoxy)butyl] ethanethioate CAS Name: ethanethioic acid S-[1-(1-nitropropan-2-yloxy)butyl] ester IUPAC Name: S-[1-(1-nitropropan-2-yloxy)butyl] ethanethioate Traditional Name: ethanethioic acid S-[1-(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-])SC(=O)C

Isomeric SMILES

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

InChI

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