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

Systemtic Name: [4-(2,4-dinitrophenoxy)-1-sulfanyl-butan-2-yl] ethanoate Openeye Name: [3-(2,4-dinitrophenoxy)-1-(sulfanylmethyl)propyl] acetate CAS Name: acetic acid [4-(2,4-dinitrophenoxy)-1-mercaptobutan-2-yl] ester IUPAC Name: [4-(2,4-dinitrophenoxy)-1-sulfanylbutan-2-yl] acetate Traditional Name: acetic acid [3-(2,4-dinitrophenoxy)-1-(mercaptomethyl)propyl] ester Formula: C12H14N2O7S MolecularWeight: 330.31376

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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-])CS

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O7S/c1-8(15)21-10(7-22)4-5-20-12-3-2-9(13(16)17)6-11(12)14(18)19/h2-3,6,10,22H,4-5,7H2,1H3