4,5,7-tris(chloranyl)-3,3-dimethoxy-6-phenyl-2-sulfanyl-isoindol-1-one

Systemtic Name: 4,5,7-tris(chloranyl)-3,3-dimethoxy-6-phenyl-2-sulfanyl-isoindol-1-one Openeye Name: 4,5,7-trichloro-3,3-dimethoxy-6-phenyl-2-sulfanyl-isoindolin-1-one CAS Name: 4,5,7-trichloro-2-mercapto-3,3-dimethoxy-6-phenyl-1-isoindolone IUPAC Name: 4,5,7-trichloro-3,3-dimethoxy-6-phenyl-2-sulfanylisoindol-1-one Traditional Name: 4,5,7-trichloro-2-mercapto-3,3-dimethoxy-6-phenyl-isoindolin-1-one Formula: C16H12Cl3NO3S MolecularWeight: 404.69538

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2=C(C(=C(C(=C2Cl)Cl)C3=CC=CC=C3)Cl)C(=O)N1S)OC

Isomeric SMILES

COC1(C2=C(C(=C(C(=C2Cl)Cl)C3=CC=CC=C3)Cl)C(=O)N1S)OC

InChI

InChI=1S/C16H12Cl3NO3S/c1-22-16(23-2)11-10(15(21)20(16)24)12(17)9(13(18)14(11)19)8-6-4-3-5-7-8/h3-7,24H,1-2H3