S-ethyl 2-[2,5-bis(chloranyl)-4-nitro-phenyl]ethanethioate

Systemtic Name: S-ethyl 2-[2,5-bis(chloranyl)-4-nitro-phenyl]ethanethioate Openeye Name: S-ethyl 2-(2,5-dichloro-4-nitro-phenyl)ethanethioate CAS Name: 2-(2,5-dichloro-4-nitrophenyl)ethanethioic acid S-ethyl ester IUPAC Name: S-ethyl 2-(2,5-dichloro-4-nitrophenyl)ethanethioate Traditional Name: 2-(2,5-dichloro-4-nitro-phenyl)ethanethioic acid S-ethyl ester Formula: C10H9Cl2NO3S MolecularWeight: 294.15436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CCSC(=O)CC1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H9Cl2NO3S/c1-2-17-10(14)4-6-3-8(12)9(13(15)16)5-7(6)11/h3,5H,2,4H2,1H3