dimethyl 1,3,6,9-tetrakis(chloranyl)phenoxathiine-2,8-dicarboxylate

Systemtic Name: dimethyl 1,3,6,9-tetrakis(chloranyl)phenoxathiine-2,8-dicarboxylate Openeye Name: dimethyl 1,3,6,9-tetrachlorophenoxathiine-2,8-dicarboxylate CAS Name: 1,3,6,9-tetrachlorophenoxathiine-2,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1,3,6,9-tetrachlorophenoxathiine-2,8-dicarboxylate Traditional Name: 1,3,6,9-tetrachlorophenoxathiine-2,8-dicarboxylic acid dimethyl ester Formula: C16H8Cl4O5S MolecularWeight: 454.10872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C(=C1Cl)SC3=C(C(=C(C=C3O2)Cl)C(=O)OC)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC(=C2C(=C1Cl)SC3=C(C(=C(C=C3O2)Cl)C(=O)OC)Cl)Cl

InChI

InChI=1S/C16H8Cl4O5S/c1-23-15(21)5-3-7(18)12-14(10(5)19)26-13-8(25-12)4-6(17)9(11(13)20)16(22)24-2/h3-4H,1-2H3