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

Systemtic Name: 2-[3-[3-(2-ethyl-5-oxidanyl-4-phenyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-phenylphenoxy)propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-(2-ethyl-5-hydroxy-4-phenyl-phenoxy)propoxy]-2-propyl-phenoxy]benzoic acid Formula: C33H34O6 MolecularWeight: 526.61946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H34O6/c1-3-12-25-29(17-10-18-30(25)39-31-16-9-8-15-26(31)33(35)36)37-19-11-20-38-32-22-28(34)27(21-23(32)4-2)24-13-6-5-7-14-24/h5-10,13-18,21-22,34H,3-4,11-12,19-20H2,1-2H3,(H,35,36)