5,6,7-trinitro-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 5,6,7-trinitro-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 3',6'-dihydroxy-5,6,7-trinitro-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-5,6,7-trinitro-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 3',6'-dihydroxy-5,6,7-trinitrospiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 3',6'-dihydroxy-5,6,7-trinitro-spiro[phthalan-3,9'-xanthene]-1-one Formula: C20H9N3O11 MolecularWeight: 467.29896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=C(C(=C5C(=O)O4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C=CC(=C3)O

Isomeric SMILES

C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=C(C(=C5C(=O)O4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C=CC(=C3)O

InChI

InChI=1S/C20H9N3O11/c24-8-1-3-10-14(5-8)33-15-6-9(25)2-4-11(15)20(10)12-7-13(21(27)28)17(22(29)30)18(23(31)32)16(12)19(26)34-20/h1-7,24-25H