S-[4-(4-nitrophenoxy)-2-oxidanyl-butyl] propanethioate

Systemtic Name: S-[4-(4-nitrophenoxy)-2-oxidanyl-butyl] propanethioate Openeye Name: S-[2-hydroxy-4-(4-nitrophenoxy)butyl] propanethioate CAS Name: propanethioic acid S-[2-hydroxy-4-(4-nitrophenoxy)butyl] ester IUPAC Name: S-[2-hydroxy-4-(4-nitrophenoxy)butyl] propanethioate Traditional Name: propanethioic acid S-[2-hydroxy-4-(4-nitrophenoxy)butyl] ester Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCC(CCOC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCC(=O)SCC(CCOC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C13H17NO5S/c1-2-13(16)20-9-11(15)7-8-19-12-5-3-10(4-6-12)14(17)18/h3-6,11,15H,2,7-9H2,1H3