6,7-diisothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 6,7-diisothiocyanato-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dihydroxy-6,7-diisothiocyanato-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-6,7-diisothiocyanato-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dihydroxy-6,7-diisothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-6,7-diisothiocyanato-spiro[phthalan-3,9'-xanthene]-1-one Formula: C22H10N2O5S2 MolecularWeight: 446.4552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C=C5)N=C=S)N=C=S)C(=O)O4)C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C24C5=C(C(=C(C=C5)N=C=S)N=C=S)C(=O)O4)C=CC(=C3)O

InChI

InChI=1S/C22H10N2O5S2/c25-11-1-3-13-17(7-11)28-18-8-12(26)2-4-14(18)22(13)15-5-6-16(23-9-30)20(24-10-31)19(15)21(27)29-22/h1-8,25-26H