S-[1,4,7,8-tetrakis(chloranyl)-2-ethanoylsulfanyl-phenoxathiin-3-yl] ethanethioate

Systemtic Name: S-[1,4,7,8-tetrakis(chloranyl)-2-ethanoylsulfanyl-phenoxathiin-3-yl] ethanethioate Openeye Name: S-(2-acetylsulfanyl-1,4,7,8-tetrachloro-phenoxathiin-3-yl) ethanethioate CAS Name: ethanethioic acid S-[2-(acetylthio)-1,4,7,8-tetrachloro-3-phenoxathiinyl] ester IUPAC Name: S-(2-acetylsulfanyl-1,4,7,8-tetrachlorophenoxathiin-3-yl) ethanethioate Traditional Name: ethanethioic acid S-[2-(acetylthio)-1,4,7,8-tetrachloro-phenoxathiin-3-yl] ester Formula: C16H8Cl4O3S3 MolecularWeight: 486.23992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(C2=C(C(=C1SC(=O)C)Cl)SC3=CC(=C(C=C3O2)Cl)Cl)Cl

Isomeric SMILES

CC(=O)SC1=C(C2=C(C(=C1SC(=O)C)Cl)SC3=CC(=C(C=C3O2)Cl)Cl)Cl

InChI

InChI=1S/C16H8Cl4O3S3/c1-5(21)24-15-11(19)13-14(12(20)16(15)25-6(2)22)26-10-4-8(18)7(17)3-9(10)23-13/h3-4H,1-2H3