5,7-di(butanoyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-di(butanoyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-di(butanoyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 9-oxo-5,7-bis(1-oxobutyl)-2-xanthenecarboxylic acid IUPAC Name: 5,7-di(butanoyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-dibutyryl-9-keto-xanthene-2-carboxylic acid Formula: C22H20O6 MolecularWeight: 380.3906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O6/c1-3-5-17(23)13-10-14(18(24)6-4-2)21-16(11-13)20(25)15-9-12(22(26)27)7-8-19(15)28-21/h7-11H,3-6H2,1-2H3,(H,26,27)