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

Systemtic Name: 7-octyl-9-oxidanylidene-5-propanoyl-xanthene-2-carboxylic acid Openeye Name: 7-octyl-9-oxo-5-propanoyl-xanthene-2-carboxylic acid CAS Name: 7-octyl-9-oxo-5-(1-oxopropyl)-2-xanthenecarboxylic acid IUPAC Name: 7-octyl-9-oxo-5-propanoylxanthene-2-carboxylic acid Traditional Name: 9-keto-7-octyl-5-propionyl-xanthene-2-carboxylic acid Formula: C25H28O5 MolecularWeight: 408.48682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(=O)CC

Isomeric SMILES

CCCCCCCCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(=O)CC

InChI

InChI=1S/C25H28O5/c1-3-5-6-7-8-9-10-16-13-18(21(26)4-2)24-20(14-16)23(27)19-15-17(25(28)29)11-12-22(19)30-24/h11-15H,3-10H2,1-2H3,(H,28,29)