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

Systemtic Name: 2-[3-[3-(2-ethyl-4-ethynyl-5-phenylmethoxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(5-benzyloxy-2-ethyl-4-ethynyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-(2-ethyl-4-ethynyl-5-phenylmethoxyphenoxy)propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(2-ethyl-4-ethynyl-5-phenylmethoxyphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(5-benzoxy-2-ethyl-4-ethynyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C36H36O6 MolecularWeight: 564.66744

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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#C)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C36H36O6/c1-4-14-29-31(19-12-20-32(29)42-33-18-11-10-17-30(33)36(37)38)39-21-13-22-40-34-24-35(28(6-3)23-27(34)5-2)41-25-26-15-8-7-9-16-26/h3,7-12,15-20,23-24H,4-5,13-14,21-22,25H2,1-2H3,(H,37,38)