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

Systemtic Name: 6-isocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dihydroxy-6-isocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-6-isocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dihydroxy-6-isocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-6-isocyanato-spiro[phthalan-3,9'-xanthene]-1-one Formula: C21H11NO6 MolecularWeight: 373.31514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N=C=O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Isomeric SMILES

C1=CC2=C(C=C1N=C=O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/C21H11NO6/c23-10-22-11-1-4-15-14(7-11)20(26)28-21(15)16-5-2-12(24)8-18(16)27-19-9-13(25)3-6-17(19)21/h1-9,24-25H