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

Systemtic Name: 6-octanoyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-octanoyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 9-oxo-6-(1-oxooctyl)-2-xanthenecarboxylic acid IUPAC Name: 6-octanoyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-caprylyl-9-keto-xanthene-2-carboxylic acid Formula: C22H22O5 MolecularWeight: 366.40708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O5/c1-2-3-4-5-6-7-18(23)14-8-10-16-20(13-14)27-19-11-9-15(22(25)26)12-17(19)21(16)24/h8-13H,2-7H2,1H3,(H,25,26)