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

Systemtic Name: S-[4-(4-nitrophenoxy)-2-oxidanyl-butyl] ethanethioate Openeye Name: S-[2-hydroxy-4-(4-nitrophenoxy)butyl] ethanethioate CAS Name: ethanethioic acid S-[2-hydroxy-4-(4-nitrophenoxy)butyl] ester IUPAC Name: S-[2-hydroxy-4-(4-nitrophenoxy)butyl] ethanethioate Traditional Name: ethanethioic acid S-[2-hydroxy-4-(4-nitrophenoxy)butyl] ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-9(14)19-8-11(15)6-7-18-12-4-2-10(3-5-12)13(16)17/h2-5,11,15H,6-8H2,1H3