S-[3-(2,4-dinitrophenoxy)-2-oxidanyl-propyl] ethanethioate

Systemtic Name: S-[3-(2,4-dinitrophenoxy)-2-oxidanyl-propyl] ethanethioate Openeye Name: S-[3-(2,4-dinitrophenoxy)-2-hydroxy-propyl] ethanethioate CAS Name: ethanethioic acid S-[3-(2,4-dinitrophenoxy)-2-hydroxypropyl] ester IUPAC Name: S-[3-(2,4-dinitrophenoxy)-2-hydroxypropyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(2,4-dinitrophenoxy)-2-hydroxy-propyl] ester Formula: C11H12N2O7S MolecularWeight: 316.28718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O7S/c1-7(14)21-6-9(15)5-20-11-3-2-8(12(16)17)4-10(11)13(18)19/h2-4,9,15H,5-6H2,1H3