[4-(4-nitrophenoxy)-1-sulfanyl-butan-2-yl] ethanoate

Systemtic Name: [4-(4-nitrophenoxy)-1-sulfanyl-butan-2-yl] ethanoate Openeye Name: [3-(4-nitrophenoxy)-1-(sulfanylmethyl)propyl] acetate CAS Name: acetic acid [1-mercapto-4-(4-nitrophenoxy)butan-2-yl] ester IUPAC Name: [4-(4-nitrophenoxy)-1-sulfanylbutan-2-yl] acetate Traditional Name: acetic acid [1-(mercaptomethyl)-3-(4-nitrophenoxy)propyl] ester Formula: C12H15NO5S MolecularWeight: 285.3162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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