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

Systemtic Name: 3-octadecoxy-5-[3-(4-phenylmethoxyphenoxy)propoxy]benzoic acid Openeye Name: 3-[3-(4-benzyloxyphenoxy)propoxy]-5-octadecoxy-benzoic acid CAS Name: 3-octadecoxy-5-[3-(4-phenylmethoxyphenoxy)propoxy]benzoic acid IUPAC Name: 3-octadecoxy-5-[3-(4-phenylmethoxyphenoxy)propoxy]benzoic acid Traditional Name: 3-[3-(4-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=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

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