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

Systemtic Name: 2-[3-[3-(4-bromanyl-2-ethyl-5-oxidanyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(4-bromo-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-(4-bromo-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(4-bromo-2-ethyl-5-hydroxyphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(4-bromo-2-ethyl-5-hydroxy-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C27H29BrO6 MolecularWeight: 529.41956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)Br)O)OC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=CC(=C(C=C2CC)Br)O)OC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H29BrO6/c1-3-9-19-23(12-7-13-24(19)34-25-11-6-5-10-20(25)27(30)31)32-14-8-15-33-26-17-22(29)21(28)16-18(26)4-2/h5-7,10-13,16-17,29H,3-4,8-9,14-15H2,1-2H3,(H,30,31)