3-octadecoxy-5-[3-(2-phenylmethoxyphenoxy)propoxy]benzoic acid

Systemtic Name: 3-octadecoxy-5-[3-(2-phenylmethoxyphenoxy)propoxy]benzoic acid Openeye Name: 3-[3-(2-benzyloxyphenoxy)propoxy]-5-octadecoxy-benzoic acid CAS Name: 3-octadecoxy-5-[3-(2-phenylmethoxyphenoxy)propoxy]benzoic acid IUPAC Name: 3-octadecoxy-5-[3-(2-phenylmethoxyphenoxy)propoxy]benzoic acid Traditional Name: 3-[3-(2-benzoxyphenoxy)propoxy]-5-stearyloxy-benzoic acid Formula: C41H58O6 MolecularWeight: 646.89562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCOC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCOC2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C41H58O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-28-44-37-31-36(41(42)43)32-38(33-37)45-29-23-30-46-39-26-20-21-27-40(39)47-34-35-24-18-17-19-25-35/h17-21,24-27,31-33H,2-16,22-23,28-30,34H2,1H3,(H,42,43)