3',6'-bis(2-methylpropanoyloxy)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid

Systemtic Name: 3',6'-bis(2-methylpropanoyloxy)-1-oxidanylidene-spiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Openeye Name: 3',6'-bis(2-methylpropanoyloxy)-1-oxo-spiro[isobenzofuran-3,9'-xanthene]-5-carboxylic acid CAS Name: 3',6'-bis(2-methyl-1-oxopropoxy)-1-oxo-5-spiro[isobenzofuran-3,9'-xanthene]carboxylic acid IUPAC Name: 3',6'-bis(2-methylpropanoyloxy)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid Traditional Name: 3',6'-diisobutyryloxy-1-keto-spiro[phthalan-3,9'-xanthene]-5-carboxylic acid Formula: C29H24O9 MolecularWeight: 516.49546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C(C)C)C5=C(C=CC(=C5)C(=O)O)C(=O)O3

Isomeric SMILES

CC(C)C(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C(C)C)C5=C(C=CC(=C5)C(=O)O)C(=O)O3

InChI

InChI=1S/C29H24O9/c1-14(2)26(32)35-17-6-9-20-23(12-17)37-24-13-18(36-27(33)15(3)4)7-10-21(24)29(20)22-11-16(25(30)31)5-8-19(22)28(34)38-29/h5-15H,1-4H3,(H,30,31)