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

Systemtic Name: 2-[3-[3-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(5-benzyloxy-4-bromo-2-ethyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(5-benzoxy-4-bromo-2-ethyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C34H35BrO6 MolecularWeight: 619.5421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)Br)OCC3=CC=CC=C3)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)Br)OCC3=CC=CC=C3)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C34H35BrO6/c1-3-12-26-29(17-10-18-30(26)41-31-16-9-8-15-27(31)34(36)37)38-19-11-20-39-32-22-33(28(35)21-25(32)4-2)40-23-24-13-6-5-7-14-24/h5-10,13-18,21-22H,3-4,11-12,19-20,23H2,1-2H3,(H,36,37)