S-[[4-(carbonochloridoyloxymethyl)-2,6-dinitro-phenyl]methyl] ethanethioate

Systemtic Name: S-[[4-(carbonochloridoyloxymethyl)-2,6-dinitro-phenyl]methyl] ethanethioate Openeye Name: S-[[4-(chlorocarbonyloxymethyl)-2,6-dinitro-phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[4-(carbonochloridoyloxymethyl)-2,6-dinitrophenyl]methyl] ester IUPAC Name: S-[[4-(carbonochloridoyloxymethyl)-2,6-dinitrophenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[4-(chlorocarbonyloxymethyl)-2,6-dinitro-benzyl] ester Formula: C11H9ClN2O7S MolecularWeight: 348.71636

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C(C=C(C=C1[N+](=O)[O-])COC(=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SCC1=C(C=C(C=C1[N+](=O)[O-])COC(=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H9ClN2O7S/c1-6(15)22-5-8-9(13(17)18)2-7(4-21-11(12)16)3-10(8)14(19)20/h2-3H,4-5H2,1H3