6-[2-(2-carboxyethyl)-3-[6-(4-oxidanylidene-8-propyl-chromen-7-yl)oxyhexyl]phenoxy]hexanoic acid

Systemtic Name: 6-[2-(2-carboxyethyl)-3-[6-(4-oxidanylidene-8-propyl-chromen-7-yl)oxyhexyl]phenoxy]hexanoic acid Openeye Name: 6-[2-(2-carboxyethyl)-3-[6-(4-oxo-8-propyl-chromen-7-yl)oxyhexyl]phenoxy]hexanoic acid CAS Name: 6-[2-(2-carboxyethyl)-3-[6-[(4-oxo-8-propyl-1-benzopyran-7-yl)oxy]hexyl]phenoxy]hexanoic acid IUPAC Name: 6-[2-(2-carboxyethyl)-3-[6-(4-oxo-8-propylchromen-7-yl)oxyhexyl]phenoxy]hexanoic acid Traditional Name: 6-[2-(2-carboxyethyl)-3-[6-(4-keto-8-propyl-chromen-7-yl)oxyhexyl]phenoxy]hexanoic acid Formula: C33H42O8 MolecularWeight: 566.68178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC=CC2=O)OCCCCCCC3=C(C(=CC=C3)OCCCCCC(=O)O)CCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC2=C1OC=CC2=O)OCCCCCCC3=C(C(=CC=C3)OCCCCCC(=O)O)CCC(=O)O

InChI

InChI=1S/C33H42O8/c1-2-11-27-30(18-16-26-28(34)20-23-41-33(26)27)40-21-8-4-3-6-12-24-13-10-14-29(25(24)17-19-32(37)38)39-22-9-5-7-15-31(35)36/h10,13-14,16,18,20,23H,2-9,11-12,15,17,19,21-22H2,1H3,(H,35,36)(H,37,38)