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

Systemtic Name: 4'-isothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dihydroxy-4'-isothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-4'-isothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dihydroxy-4'-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-4'-isothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one Formula: C21H11NO5S MolecularWeight: 389.38074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5N=C=S)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5N=C=S)O

InChI

InChI=1S/C21H11NO5S/c23-11-5-6-14-17(9-11)26-19-15(7-8-16(24)18(19)22-10-28)21(14)13-4-2-1-3-12(13)20(25)27-21/h1-9,23-24H