6-heptanoyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-heptanoyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-heptanoyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 9-oxo-6-(1-oxoheptyl)-2-xanthenecarboxylic acid IUPAC Name: 6-heptanoyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-enanthyl-9-keto-xanthene-2-carboxylic acid Formula: C21H20O5 MolecularWeight: 352.3805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5/c1-2-3-4-5-6-17(22)13-7-9-15-19(12-13)26-18-10-8-14(21(24)25)11-16(18)20(15)23/h7-12H,2-6H2,1H3,(H,24,25)