S-(1-nitropropan-2-yloxymethyl) ethanethioate

Systemtic Name: S-(1-nitropropan-2-yloxymethyl) ethanethioate Openeye Name: S-[(1-methyl-2-nitro-ethoxy)methyl] ethanethioate CAS Name: ethanethioic acid S-(1-nitropropan-2-yloxymethyl) ester IUPAC Name: S-(1-nitropropan-2-yloxymethyl) ethanethioate Traditional Name: ethanethioic acid S-[(1-methyl-2-nitro-ethoxy)methyl] ester Formula: C6H11NO4S MolecularWeight: 193.22084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](=O)[O-])OCSC(=O)C

Isomeric SMILES

CC(C[N+](=O)[O-])OCSC(=O)C

InChI

InChI=1S/C6H11NO4S/c1-5(3-7(9)10)11-4-12-6(2)8/h5H,3-4H2,1-2H3