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

Systemtic Name: 7-octoxy-9-oxidanylidene-5-(1-oxidanylpropyl)xanthene-2-carboxylic acid Openeye Name: 5-(1-hydroxypropyl)-7-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(1-hydroxypropyl)-7-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(1-hydroxypropyl)-7-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-(1-hydroxypropyl)-9-keto-7-octoxy-xanthene-2-carboxylic acid Formula: C25H30O6 MolecularWeight: 426.5021

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)C(CC)O

Isomeric SMILES

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

InChI

InChI=1S/C25H30O6/c1-3-5-6-7-8-9-12-30-17-14-18(21(26)4-2)24-20(15-17)23(27)19-13-16(25(28)29)10-11-22(19)31-24/h10-11,13-15,21,26H,3-9,12H2,1-2H3,(H,28,29)