2-[3-[3-[2-ethyl-4-(2-oxidanylethanoyl)-5-phenylmethoxy-phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid

Systemtic Name: 2-[3-[3-[2-ethyl-4-(2-oxidanylethanoyl)-5-phenylmethoxy-phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-[5-benzyloxy-2-ethyl-4-(2-hydroxyacetyl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-4-(2-hydroxy-1-oxoethyl)-5-phenylmethoxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-[2-ethyl-4-(2-hydroxyacetyl)-5-phenylmethoxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(5-benzoxy-2-ethyl-4-glycoloyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C36H38O8 MolecularWeight: 598.68212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)OCC3=CC=CC=C3)C(=O)CO)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)OCC3=CC=CC=C3)C(=O)CO)CC)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C36H38O8/c1-3-12-27-31(17-10-18-32(27)44-33-16-9-8-15-28(33)36(39)40)41-19-11-20-42-34-22-35(43-24-25-13-6-5-7-14-25)29(30(38)23-37)21-26(34)4-2/h5-10,13-18,21-22,37H,3-4,11-12,19-20,23-24H2,1-2H3,(H,39,40)