4-(3-iodanyl-1-benzothiophen-2-yl)-3-(2-phenyl-1-benzofuran-3-yl)isochromen-1-one

Systemtic Name: 4-(3-iodanyl-1-benzothiophen-2-yl)-3-(2-phenyl-1-benzofuran-3-yl)isochromen-1-one Openeye Name: 4-(3-iodobenzothiophen-2-yl)-3-(2-phenylbenzofuran-3-yl)isochromen-1-one CAS Name: 4-(3-iodo-1-benzothiophen-2-yl)-3-(2-phenyl-3-benzofuranyl)-2-benzopyran-1-one IUPAC Name: 4-(3-iodo-1-benzothiophen-2-yl)-3-(2-phenyl-1-benzofuran-3-yl)isochromen-1-one Traditional Name: 4-(3-iodobenzothiophen-2-yl)-3-(2-phenylbenzofuran-3-yl)isocoumarin Formula: C31H17IO3S MolecularWeight: 596.43435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C4=C(C5=CC=CC=C5C(=O)O4)C6=C(C7=CC=CC=C7S6)I

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3O2)C4=C(C5=CC=CC=C5C(=O)O4)C6=C(C7=CC=CC=C7S6)I

InChI

InChI=1S/C31H17IO3S/c32-27-22-15-7-9-17-24(22)36-30(27)26-19-12-4-5-13-20(19)31(33)35-29(26)25-21-14-6-8-16-23(21)34-28(25)18-10-2-1-3-11-18/h1-17H