[2-(2,3-dinitrooxypropylsulfanylcarbonyl)phenyl] ethanoate

Systemtic Name: [2-(2,3-dinitrooxypropylsulfanylcarbonyl)phenyl] ethanoate Openeye Name: [2-(2,3-dinitrooxypropylsulfanylcarbonyl)phenyl] acetate CAS Name: acetic acid [2-[(2,3-dinitrooxypropylthio)-oxomethyl]phenyl] ester IUPAC Name: [2-(2,3-dinitrooxypropylsulfanylcarbonyl)phenyl] acetate Traditional Name: acetic acid [2-(2,3-dinitrooxypropylthio)carbonylphenyl] ester Formula: C12H12N2O9S MolecularWeight: 360.29668

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)SCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C12H12N2O9S/c1-8(15)22-11-5-3-2-4-10(11)12(16)24-7-9(23-14(19)20)6-21-13(17)18/h2-5,9H,6-7H2,1H3