4,5,6,7-tetrakis(chloranyl)-3-(2-methyl-1-octyl-indol-3-yl)-3-oxidanyl-2-benzofuran-1-one

Systemtic Name: 4,5,6,7-tetrakis(chloranyl)-3-(2-methyl-1-octyl-indol-3-yl)-3-oxidanyl-2-benzofuran-1-one Openeye Name: 4,5,6,7-tetrachloro-3-hydroxy-3-(2-methyl-1-octyl-indol-3-yl)isobenzofuran-1-one CAS Name: 4,5,6,7-tetrachloro-3-hydroxy-3-(2-methyl-1-octyl-3-indolyl)-1-isobenzofuranone IUPAC Name: 4,5,6,7-tetrachloro-3-hydroxy-3-(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one Traditional Name: 4,5,6,7-tetrachloro-3-hydroxy-3-(2-methyl-1-octyl-indol-3-yl)phthalide Formula: C25H25Cl4NO3 MolecularWeight: 529.2829

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)O)C

Isomeric SMILES

CCCCCCCCN1C(=C(C2=CC=CC=C21)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)O)C

InChI

InChI=1S/C25H25Cl4NO3/c1-3-4-5-6-7-10-13-30-14(2)18(15-11-8-9-12-16(15)30)25(32)19-17(24(31)33-25)20(26)22(28)23(29)21(19)27/h8-9,11-12,32H,3-7,10,13H2,1-2H3