S-[(2,4-dinitrophenyl)methyl] ethanethioate

Systemtic Name: S-[(2,4-dinitrophenyl)methyl] ethanethioate Openeye Name: S-[(2,4-dinitrophenyl)methyl] ethanethioate CAS Name: ethanethioic acid S-[(2,4-dinitrophenyl)methyl] ester IUPAC Name: S-[(2,4-dinitrophenyl)methyl] ethanethioate Traditional Name: ethanethioic acid S-(2,4-dinitrobenzyl) ester Formula: C9H8N2O5S MolecularWeight: 256.23522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O5S/c1-6(12)17-5-7-2-3-8(10(13)14)4-9(7)11(15)16/h2-4H,5H2,1H3