3',4-bis(2-methylpropanoyloxy)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

Systemtic Name: 3',4-bis(2-methylpropanoyloxy)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Openeye Name: 3',4-bis(2-methylpropanoyloxy)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid CAS Name: 3',4-bis(2-methyl-1-oxopropoxy)-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid IUPAC Name: 3',4-bis(2-methylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid Traditional Name: 3',4-diisobutyryloxy-3-keto-spiro[phthalan-1,9'-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(C(=C(C=C4)C(=O)O)OC(=O)C(C)C)C(=O)O3)C5=CC=CC=C5O2

Isomeric SMILES

CC(C)C(=O)OC1=CC2=C(C=C1)C3(C4=C(C(=C(C=C4)C(=O)O)OC(=O)C(C)C)C(=O)O3)C5=CC=CC=C5O2

InChI

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