5,7-bis(3-methylbutanoyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-bis(3-methylbutanoyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-bis(3-methylbutanoyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(3-methyl-1-oxobutyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(3-methylbutanoyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-diisovaleryl-9-keto-xanthene-2-carboxylic acid Formula: C24H24O6 MolecularWeight: 408.44376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(=O)CC(C)C

Isomeric SMILES

CC(C)CC(=O)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(=O)CC(C)C

InChI

InChI=1S/C24H24O6/c1-12(2)7-19(25)15-10-16(20(26)8-13(3)4)23-18(11-15)22(27)17-9-14(24(28)29)5-6-21(17)30-23/h5-6,9-13H,7-8H2,1-4H3,(H,28,29)