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

Systemtic Name: 6-isothiocyanato-3',6'-bis(oxidanyl)spiro[3a,7a-dihydro-2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dihydroxy-6-isothiocyanato-spiro[3a,7a-dihydroisobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-6-isothiocyanato-1-spiro[3a,7a-dihydroisobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dihydroxy-6-isothiocyanatospiro[3a,7a-dihydro-2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-6-isothiocyanato-spiro[3a,7a-dihydroisobenzofuran-3,9'-xanthene]-1-one Formula: C21H13NO5S MolecularWeight: 391.39662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2C1C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)N=C=S

Isomeric SMILES

C1=CC(=CC2C1C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)N=C=S

InChI

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