6-[2-(2-carboxyethyl)-3-[6-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)hexyl]phenoxy]hexanoic acid

Systemtic Name: 6-[2-(2-carboxyethyl)-3-[6-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)hexyl]phenoxy]hexanoic acid Openeye Name: 6-[3-[6-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)hexyl]-2-(2-carboxyethyl)phenoxy]hexanoic acid CAS Name: 6-[3-[6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)hexyl]-2-(2-carboxyethyl)phenoxy]hexanoic acid IUPAC Name: 6-[3-[6-(4-acetyl-2-ethyl-5-hydroxyphenoxy)hexyl]-2-(2-carboxyethyl)phenoxy]hexanoic acid Traditional Name: 6-[3-[6-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)hexyl]-2-(2-carboxyethyl)phenoxy]hexanoic acid Formula: C31H42O8 MolecularWeight: 542.66038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCCCC2=C(C(=CC=C2)OCCCCCC(=O)O)CCC(=O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCCCCC2=C(C(=CC=C2)OCCCCCC(=O)O)CCC(=O)O

InChI

InChI=1S/C31H42O8/c1-3-23-20-26(22(2)32)27(33)21-29(23)39-19-9-5-4-7-12-24-13-11-14-28(25(24)16-17-31(36)37)38-18-10-6-8-15-30(34)35/h11,13-14,20-21,33H,3-10,12,15-19H2,1-2H3,(H,34,35)(H,36,37)