6-(2-imidazol-1-yl-2-oxidanylidene-ethyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 6-(2-imidazol-1-yl-2-oxidanylidene-ethyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dihydroxy-6-(2-imidazol-1-yl-2-oxo-ethyl)spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-6-[2-(1-imidazolyl)-2-oxoethyl]-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dihydroxy-6-(2-imidazol-1-yl-2-oxoethyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-6-(2-imidazol-1-yl-2-keto-ethyl)spiro[phthalan-3,9'-xanthene]-1-one Formula: C25H16N2O6 MolecularWeight: 440.40434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC(=O)N3C=CN=C3)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O

Isomeric SMILES

C1=CC2=C(C=C1CC(=O)N3C=CN=C3)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O

InChI

InChI=1S/C25H16N2O6/c28-15-2-5-19-21(11-15)32-22-12-16(29)3-6-20(22)25(19)18-4-1-14(9-17(18)24(31)33-25)10-23(30)27-8-7-26-13-27/h1-9,11-13,28-29H,10H2