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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28O6/c1-2-3-4-5-6-7-12-29-18-13-16(10-11-25)23-20(15-18)22(26)19-14-17(24(27)28)8-9-21(19)30-23/h8-9,13-15,25H,2-7,10-12H2,1H3,(H,27,28)