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

Systemtic Name: 3',6'-diacetyloxyspiro[3H-2-benzofuran-1,9'-xanthene]-5-sulfonic acid Openeye Name: 3',6'-diacetoxyspiro[3H-isobenzofuran-1,9'-xanthene]-5-sulfonic acid CAS Name: 3',6'-diacetyloxy-5-spiro[3H-isobenzofuran-1,9'-xanthene]sulfonic acid IUPAC Name: 3',6'-diacetyloxyspiro[3H-2-benzofuran-1,9'-xanthene]-5-sulfonic acid Traditional Name: 3',6'-diacetoxyspiro[phthalan-1,9'-xanthene]-5-sulfonic acid Formula: C24H18O9S MolecularWeight: 482.45932

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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)S(=O)(=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)S(=O)(=O)O)C5=C(O2)C=C(C=C5)OC(=O)C

InChI

InChI=1S/C24H18O9S/c1-13(25)31-16-3-6-20-22(10-16)33-23-11-17(32-14(2)26)4-7-21(23)24(20)19-8-5-18(34(27,28)29)9-15(19)12-30-24/h3-11H,12H2,1-2H3,(H,27,28,29)