5-octoxy-9-oxidanylidene-7-propanoyl-xanthene-2-carboxylic acid

Systemtic Name: 5-octoxy-9-oxidanylidene-7-propanoyl-xanthene-2-carboxylic acid Openeye Name: 5-octoxy-9-oxo-7-propanoyl-xanthene-2-carboxylic acid CAS Name: 5-octoxy-9-oxo-7-(1-oxopropyl)-2-xanthenecarboxylic acid IUPAC Name: 5-octoxy-9-oxo-7-propanoylxanthene-2-carboxylic acid Traditional Name: 9-keto-5-octoxy-7-propionyl-xanthene-2-carboxylic acid Formula: C25H28O6 MolecularWeight: 424.48622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=CC(=C1)C(=O)CC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C2C(=CC(=C1)C(=O)CC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C25H28O6/c1-3-5-6-7-8-9-12-30-22-15-17(20(26)4-2)14-19-23(27)18-13-16(25(28)29)10-11-21(18)31-24(19)22/h10-11,13-15H,3-9,12H2,1-2H3,(H,28,29)