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

Systemtic Name: (3-oxidanylidene-6'-sulfooxy-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) ethanoate Openeye Name: (3-oxo-6'-sulfooxy-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) acetate CAS Name: acetic 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) acetate Traditional Name: acetic acid (3-keto-6'-sulfoxy-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C22H14O9S MolecularWeight: 454.40616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OS(=O)(=O)O)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OS(=O)(=O)O)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C22H14O9S/c1-12(23)28-13-6-8-17-19(10-13)29-20-11-14(31-32(25,26)27)7-9-18(20)22(17)16-5-3-2-4-15(16)21(24)30-22/h2-11H,1H3,(H,25,26,27)