3-octadecoxy-5-[6-(4-phenylmethoxyphenoxy)hexoxy]benzoic acid

Systemtic Name: 3-octadecoxy-5-[6-(4-phenylmethoxyphenoxy)hexoxy]benzoic acid Openeye Name: 3-[6-(4-benzyloxyphenoxy)hexoxy]-5-octadecoxy-benzoic acid CAS Name: 3-octadecoxy-5-[6-(4-phenylmethoxyphenoxy)hexoxy]benzoic acid IUPAC Name: 3-octadecoxy-5-[6-(4-phenylmethoxyphenoxy)hexoxy]benzoic acid Traditional Name: 3-[6-(4-benzoxyphenoxy)hexoxy]-5-stearyloxy-benzoic acid Formula: C44H64O6 MolecularWeight: 688.97536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C44H64O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-48-42-34-39(44(45)46)35-43(36-42)49-33-24-18-17-23-31-47-40-27-29-41(30-28-40)50-37-38-25-20-19-21-26-38/h19-21,25-30,34-36H,2-18,22-24,31-33,37H2,1H3,(H,45,46)