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

Systemtic Name: 7-(1-hydroxyethyl)-5-octyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(1-hydroxyethyl)-5-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(1-hydroxyethyl)-5-octyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(1-hydroxyethyl)-5-octyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(1-hydroxyethyl)-9-keto-5-octyl-xanthene-2-carboxylic acid Formula: C24H28O5 MolecularWeight: 396.47612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O5/c1-3-4-5-6-7-8-9-16-12-18(15(2)25)14-20-22(26)19-13-17(24(27)28)10-11-21(19)29-23(16)20/h10-15,25H,3-9H2,1-2H3,(H,27,28)