S-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl ethanethioate

Systemtic Name: S-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl ethanethioate Openeye Name: S-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl ethanethioate CAS Name: ethanethioic acid S-[[4-nitro-2-(trichloromethyl)phenyl]thio] ester IUPAC Name: S-[4-nitro-2-(trichloromethyl)phenyl]sulfanyl ethanethioate Traditional Name: ethanethioic acid S-[[4-nitro-2-(trichloromethyl)phenyl]thio] ester Formula: C9H6Cl3NO3S2 MolecularWeight: 346.63784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SSC1=C(C=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

CC(=O)SSC1=C(C=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

InChI

InChI=1S/C9H6Cl3NO3S2/c1-5(14)17-18-8-3-2-6(13(15)16)4-7(8)9(10,11)12/h2-4H,1H3