8-(2-carboxyethyl)-7-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-9-oxidanylidene-xanthene-3-carboxylic acid

Systemtic Name: 8-(2-carboxyethyl)-7-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-9-oxidanylidene-xanthene-3-carboxylic acid Openeye Name: 8-(2-carboxyethyl)-7-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-9-oxo-xanthene-3-carboxylic acid CAS Name: 8-(2-carboxyethyl)-7-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-9-oxo-3-xanthenecarboxylic acid IUPAC Name: 8-(2-carboxyethyl)-7-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-9-oxoxanthene-3-carboxylic acid Traditional Name: 8-(2-carboxyethyl)-7-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-9-keto-xanthene-3-carboxylic acid Formula: C34H30O9 MolecularWeight: 582.5966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)O)OCCCOC3=C(C4=C(C=C3)OC5=C(C4=O)C=CC(=C5)C(=O)O)CCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)O)OCCCOC3=C(C4=C(C=C3)OC5=C(C4=O)C=CC(=C5)C(=O)O)CCC(=O)O

InChI

InChI=1S/C34H30O9/c1-2-20-17-25(21-7-4-3-5-8-21)26(35)19-29(20)42-16-6-15-41-27-12-13-28-32(23(27)11-14-31(36)37)33(38)24-10-9-22(34(39)40)18-30(24)43-28/h3-5,7-10,12-13,17-19,35H,2,6,11,14-16H2,1H3,(H,36,37)(H,39,40)