4',5'-bis(iodanyl)-6-isothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 4',5'-bis(iodanyl)-6-isothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-4',5'-diiodo-6-isothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one Formula: C21H9I2NO5S MolecularWeight: 641.1738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C(=C(C=C4)O)I)OC5=C3C=CC(=C5I)O

Isomeric SMILES

C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C(=C(C=C4)O)I)OC5=C3C=CC(=C5I)O

InChI

InChI=1S/C21H9I2NO5S/c22-16-14(25)5-3-12-18(16)28-19-13(4-6-15(26)17(19)23)21(12)11-2-1-9(24-8-30)7-10(11)20(27)29-21/h1-7,25-26H