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

Systemtic Name: S-[3-(4-nitrophenoxy)-2-oxidanyl-propyl] ethanethioate Openeye Name: S-[2-hydroxy-3-(4-nitrophenoxy)propyl] ethanethioate CAS Name: ethanethioic acid S-[2-hydroxy-3-(4-nitrophenoxy)propyl] ester IUPAC Name: S-[2-hydroxy-3-(4-nitrophenoxy)propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-hydroxy-3-(4-nitrophenoxy)propyl] ester Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-8(13)18-7-10(14)6-17-11-4-2-9(3-5-11)12(15)16/h2-5,10,14H,6-7H2,1H3