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

Systemtic Name: S-[4-(2,4-dinitrophenoxy)-2-oxidanyl-butyl] ethanethioate Openeye Name: S-[4-(2,4-dinitrophenoxy)-2-hydroxy-butyl] ethanethioate CAS Name: ethanethioic acid S-[4-(2,4-dinitrophenoxy)-2-hydroxybutyl] ester IUPAC Name: S-[4-(2,4-dinitrophenoxy)-2-hydroxybutyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(2,4-dinitrophenoxy)-2-hydroxy-butyl] ester Formula: C12H14N2O7S MolecularWeight: 330.31376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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