3',6'-diacetyloxyspiro[3H-2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Systemtic Name: 3',6'-diacetyloxyspiro[3H-2-benzofuran-1,9'-xanthene]-5-carboxylic acid Openeye Name: 3',6'-diacetoxyspiro[3H-isobenzofuran-1,9'-xanthene]-5-carboxylic acid CAS Name: 3',6'-diacetyloxy-5-spiro[3H-isobenzofuran-1,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-diacetyloxyspiro[3H-2-benzofuran-1,9'-xanthene]-5-carboxylic acid Traditional Name: 3',6'-diacetoxyspiro[phthalan-1,9'-xanthene]-5-carboxylic acid Formula: C25H18O8 MolecularWeight: 446.40562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(CO3)C=C(C=C4)C(=O)O)C5=C(O2)C=C(C=C5)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C3(C4=C(CO3)C=C(C=C4)C(=O)O)C5=C(O2)C=C(C=C5)OC(=O)C

InChI

InChI=1S/C25H18O8/c1-13(26)31-17-4-7-20-22(10-17)33-23-11-18(32-14(2)27)5-8-21(23)25(20)19-6-3-15(24(28)29)9-16(19)12-30-25/h3-11H,12H2,1-2H3,(H,28,29)