1-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1,3',6'-triol

Systemtic Name: 1-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1,3',6'-triol Openeye Name: 1-isothiocyanatospiro[isobenzofuran-3,9'-xanthene]-1,3',6'-triol CAS Name: 1-isothiocyanatospiro[isobenzofuran-3,9'-xanthene]-1,3',6'-triol IUPAC Name: 1-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1,3',6'-triol Traditional Name: 1-isothiocyanatospiro[phthalan-3,9'-xanthene]-1,3',6'-triol Formula: C21H13NO5S MolecularWeight: 391.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2(N=C=S)O

Isomeric SMILES

C1=CC=C2C(=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2(N=C=S)O

InChI

InChI=1S/C21H13NO5S/c23-12-5-7-16-18(9-12)26-19-10-13(24)6-8-17(19)20(16)14-3-1-2-4-15(14)21(25,27-20)22-11-28/h1-10,23-25H