5,7-diethanoyl-3',6'-bis(oxidanyl)-6-sulfanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 5,7-diethanoyl-3',6'-bis(oxidanyl)-6-sulfanyl-spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 5,7-diacetyl-3',6'-dihydroxy-6-sulfanyl-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 5,7-diacetyl-3',6'-dihydroxy-6-mercapto-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 5,7-diacetyl-3',6'-dihydroxy-6-sulfanylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 5,7-diacetyl-3',6'-dihydroxy-6-mercapto-spiro[phthalan-3,9'-xanthene]-1-one Formula: C24H16O7S MolecularWeight: 448.44464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C(=C1S)C(=O)C)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

Isomeric SMILES

CC(=O)C1=CC2=C(C(=C1S)C(=O)C)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O

InChI

InChI=1S/C24H16O7S/c1-10(25)14-9-17-21(20(11(2)26)22(14)32)23(29)31-24(17)15-5-3-12(27)7-18(15)30-19-8-13(28)4-6-16(19)24/h3-9,27-28,32H,1-2H3