(6'-methoxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-methylbenzenesulfonate

Systemtic Name: (6'-methoxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-methylbenzenesulfonate Openeye Name: (6'-methoxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6'-methoxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester IUPAC Name: (6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-6'-methoxy-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C28H20O7S MolecularWeight: 500.5192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)OC)C6=CC=CC=C6C(=O)O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)OC)C6=CC=CC=C6C(=O)O4

InChI

InChI=1S/C28H20O7S/c1-17-7-11-20(12-8-17)36(30,31)35-19-10-14-24-26(16-19)33-25-15-18(32-2)9-13-23(25)28(24)22-6-4-3-5-21(22)27(29)34-28/h3-16H,1-2H3