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

Systemtic Name: [4-(2,4-dinitrophenoxy)-1-ethanoylsulfanyl-butan-2-yl] ethanoate Openeye Name: [1-(acetylsulfanylmethyl)-3-(2,4-dinitrophenoxy)propyl] acetate CAS Name: acetic acid [1-(acetylthio)-4-(2,4-dinitrophenoxy)butan-2-yl] ester IUPAC Name: [1-acetylsulfanyl-4-(2,4-dinitrophenoxy)butan-2-yl] acetate Traditional Name: acetic acid [1-[(acetylthio)methyl]-3-(2,4-dinitrophenoxy)propyl] ester Formula: C14H16N2O8S MolecularWeight: 372.35044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O8S/c1-9(17)24-12(8-25-10(2)18)5-6-23-14-4-3-11(15(19)20)7-13(14)16(21)22/h3-4,7,12H,5-6,8H2,1-2H3