6-(3-methylbutanoyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-(3-methylbutanoyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-(3-methylbutanoyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(3-methyl-1-oxobutyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(3-methylbutanoyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-isovaleryl-9-keto-xanthene-2-carboxylic acid Formula: C19H16O5 MolecularWeight: 324.32734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)CC(=O)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C19H16O5/c1-10(2)7-15(20)11-3-5-13-17(9-11)24-16-6-4-12(19(22)23)8-14(16)18(13)21/h3-6,8-10H,7H2,1-2H3,(H,22,23)