dimethyl 4,9-bis(chloranyl)-3,8-bis(ethanoylsulfanyl)thianthrene-2,7-dicarboxylate

Systemtic Name: dimethyl 4,9-bis(chloranyl)-3,8-bis(ethanoylsulfanyl)thianthrene-2,7-dicarboxylate Openeye Name: dimethyl 3,8-bis(acetylsulfanyl)-4,9-dichloro-thianthrene-2,7-dicarboxylate CAS Name: 3,8-bis(acetylthio)-4,9-dichlorothianthrene-2,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,8-bis(acetylsulfanyl)-4,9-dichlorothianthrene-2,7-dicarboxylate Traditional Name: 3,8-bis(acetylthio)-4,9-dichloro-thianthrene-2,7-dicarboxylic acid dimethyl ester Formula: C20H14Cl2O6S4 MolecularWeight: 549.48756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(C2=C(C=C1C(=O)OC)SC3=C(S2)C=C(C(=C3Cl)SC(=O)C)C(=O)OC)Cl

Isomeric SMILES

CC(=O)SC1=C(C2=C(C=C1C(=O)OC)SC3=C(S2)C=C(C(=C3Cl)SC(=O)C)C(=O)OC)Cl

InChI

InChI=1S/C20H14Cl2O6S4/c1-7(23)29-15-9(19(25)27-3)5-11-17(13(15)21)31-12-6-10(20(26)28-4)16(30-8(2)24)14(22)18(12)32-11/h5-6H,1-4H3