phenacyl 4-methylsulfanyl-2-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: phenacyl 4-methylsulfanyl-2-[4,5,6,7-tetrakis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: phenacyl 4-methylsulfanyl-2-(4,5,6,7-tetrachloro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(methylthio)-2-(4,5,6,7-tetrachloro-1,3-dioxo-2-isoindolyl)butanoic acid phenacyl ester IUPAC Name: phenacyl 4-methylsulfanyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(methylthio)-2-(4,5,6,7-tetrachloro-1,3-diketo-isoindolin-2-yl)butyric acid phenacyl ester Formula: C21H15Cl4NO5S MolecularWeight: 535.2245

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

InChI

InChI=1S/C21H15Cl4NO5S/c1-32-8-7-11(21(30)31-9-12(27)10-5-3-2-4-6-10)26-19(28)13-14(20(26)29)16(23)18(25)17(24)15(13)22/h2-6,11H,7-9H2,1H3