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

Systemtic Name: [1-ethanoylsulfanyl-4-(4-nitrophenoxy)butan-2-yl] ethanoate Openeye Name: [1-(acetylsulfanylmethyl)-3-(4-nitrophenoxy)propyl] acetate CAS Name: acetic acid [1-(acetylthio)-4-(4-nitrophenoxy)butan-2-yl] ester IUPAC Name: [1-acetylsulfanyl-4-(4-nitrophenoxy)butan-2-yl] acetate Traditional Name: acetic acid [1-[(acetylthio)methyl]-3-(4-nitrophenoxy)propyl] ester Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6S/c1-10(16)21-14(9-22-11(2)17)7-8-20-13-5-3-12(4-6-13)15(18)19/h3-6,14H,7-9H2,1-2H3