5-(2-carboxyethyl)-6-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-(2-carboxyethyl)-6-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-(2-carboxyethyl)-6-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(2-carboxyethyl)-6-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(2-carboxyethyl)-6-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-(2-carboxyethyl)-6-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-9-keto-xanthene-2-carboxylic acid Formula: C34H30O9 MolecularWeight: 582.5966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=CC=C2)O)OCCCOC3=C(C4=C(C=C3)C(=O)C5=C(O4)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)C(=O)C5=C(O4)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)27(35)19-30(20)42-16-6-15-41-28-13-10-24-32(38)26-18-22(34(39)40)9-12-29(26)43-33(24)23(28)11-14-31(36)37/h3-5,7-10,12-13,17-19,35H,2,6,11,14-16H2,1H3,(H,36,37)(H,39,40)