[1-(4-nitrophenoxy)-3-sulfanyl-propan-2-yl] ethanoate

Systemtic Name: [1-(4-nitrophenoxy)-3-sulfanyl-propan-2-yl] ethanoate Openeye Name: [1-[(4-nitrophenoxy)methyl]-2-sulfanyl-ethyl] acetate CAS Name: acetic acid [1-mercapto-3-(4-nitrophenoxy)propan-2-yl] ester IUPAC Name: [1-(4-nitrophenoxy)-3-sulfanylpropan-2-yl] acetate Traditional Name: acetic acid [1-(mercaptomethyl)-2-(4-nitrophenoxy)ethyl] ester Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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