tetraazanium (3-oxidanylidene-6'-phosphonatooxy-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) phosphate

Systemtic Name: tetraazanium (3-oxidanylidene-6'-phosphonatooxy-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) phosphate Openeye Name: tetraammonium (3-oxo-6'-phosphonatooxy-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) phosphate CAS Name: tetraammonium (3-oxo-6'-phosphonatooxy-3'-spiro[isobenzofuran-1,9'-xanthene]yl) phosphate IUPAC Name: tetraazanium (3-oxo-6'-phosphonatooxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl) phosphate Traditional Name: tetraammonium (3-keto-6'-phosphato-spiro[phthalan-1,9'-xanthene]-3'-yl) phosphate Formula: C20H26N4O11P2 MolecularWeight: 560.388162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)OP(=O)([O-])[O-])OC5=C3C=CC(=C5)OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)OP(=O)([O-])[O-])OC5=C3C=CC(=C5)OP(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C20H14O11P2.4H3N/c21-19-13-3-1-2-4-14(13)20(29-19)15-7-5-11(30-32(22,23)24)9-17(15)28-18-10-12(6-8-16(18)20)31-33(25,26)27;;;;/h1-10H,(H2,22,23,24)(H2,25,26,27);4*1H3