7-(1-hydroxyethyl)-5-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-(1-hydroxyethyl)-5-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(1-hydroxyethyl)-5-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(1-hydroxyethyl)-5-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(1-hydroxyethyl)-5-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(1-hydroxyethyl)-9-keto-5-octoxy-xanthene-2-carboxylic acid Formula: C24H28O6 MolecularWeight: 412.47552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O6/c1-3-4-5-6-7-8-11-29-21-14-17(15(2)25)13-19-22(26)18-12-16(24(27)28)9-10-20(18)30-23(19)21/h9-10,12-15,25H,3-8,11H2,1-2H3,(H,27,28)