4,5,6,7-tetrakis(chloranyl)-2-(6-ethoxy-1,3-benzothiazol-2-yl)isoindole-1,3-dione

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-2-(6-ethoxy-1,3-benzothiazol-2-yl)isoindole-1,3-dione Openeye Name: 4,5,6,7-tetrachloro-2-(6-ethoxy-1,3-benzothiazol-2-yl)isoindoline-1,3-dione CAS Name: 4,5,6,7-tetrachloro-2-(6-ethoxy-1,3-benzothiazol-2-yl)isoindole-1,3-dione IUPAC Name: 4,5,6,7-tetrachloro-2-(6-ethoxy-1,3-benzothiazol-2-yl)isoindole-1,3-dione Traditional Name: 4,5,6,7-tetrachloro-2-(6-ethoxy-1,3-benzothiazol-2-yl)isoindoline-1,3-quinone Formula: C17H8Cl4N2O3S MolecularWeight: 462.13402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl

InChI

InChI=1S/C17H8Cl4N2O3S/c1-2-26-6-3-4-7-8(5-6)27-17(22-7)23-15(24)9-10(16(23)25)12(19)14(21)13(20)11(9)18/h3-5H,2H2,1H3