S-[3-(4-nitrophenoxy)-2-oxidanyl-propyl] propanethioate

Systemtic Name: S-[3-(4-nitrophenoxy)-2-oxidanyl-propyl] propanethioate Openeye Name: S-[2-hydroxy-3-(4-nitrophenoxy)propyl] propanethioate CAS Name: propanethioic acid S-[2-hydroxy-3-(4-nitrophenoxy)propyl] ester IUPAC Name: S-[2-hydroxy-3-(4-nitrophenoxy)propyl] propanethioate Traditional Name: propanethioic acid S-[2-hydroxy-3-(4-nitrophenoxy)propyl] ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(COC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCC(=O)SCC(COC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C12H15NO5S/c1-2-12(15)19-8-10(14)7-18-11-5-3-9(4-6-11)13(16)17/h3-6,10,14H,2,7-8H2,1H3