(3-oxidanylidene-6'-sulfooxy-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) hydrogen sulfate

Systemtic Name: (3-oxidanylidene-6'-sulfooxy-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) hydrogen sulfate Openeye Name: (3-oxo-6'-sulfooxy-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) hydrogen sulfate CAS Name: sulfuric acid (3-oxo-6'-sulfooxy-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester IUPAC Name: (3-oxo-6'-sulfooxyspiro[2-benzofuran-1,9'-xanthene]-3'-yl) hydrogen sulfate Traditional Name: sulfuric acid (3-keto-6'-sulfoxy-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C20H12O11S2 MolecularWeight: 492.43268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)OS(=O)(=O)O)OC5=C3C=CC(=C5)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)OS(=O)(=O)O)OC5=C3C=CC(=C5)OS(=O)(=O)O

InChI

InChI=1S/C20H12O11S2/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,(H,22,23,24)(H,25,26,27)