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

Systemtic Name: (6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-methylbenzenesulfonate Openeye Name: (6'-hydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6'-hydroxy-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl) ester IUPAC Name: (6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6'-hydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C27H18O7S MolecularWeight: 486.49262

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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)O)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)O)C6=CC=CC=C6C(=O)O4

InChI

InChI=1S/C27H18O7S/c1-16-6-10-19(11-7-16)35(30,31)34-18-9-13-23-25(15-18)32-24-14-17(28)8-12-22(24)27(23)21-5-3-2-4-20(21)26(29)33-27/h2-15,28H,1H3