3-octadecoxy-2-[3-(4-phenylmethoxyphenoxy)propoxy]benzoic acid

Systemtic Name: 3-octadecoxy-2-[3-(4-phenylmethoxyphenoxy)propoxy]benzoic acid Openeye Name: 2-[3-(4-benzyloxyphenoxy)propoxy]-3-octadecoxy-benzoic acid CAS Name: 3-octadecoxy-2-[3-(4-phenylmethoxyphenoxy)propoxy]benzoic acid IUPAC Name: 3-octadecoxy-2-[3-(4-phenylmethoxyphenoxy)propoxy]benzoic acid Traditional Name: 2-[3-(4-benzoxyphenoxy)propoxy]-3-stearyloxy-benzoic acid Formula: C41H58O6 MolecularWeight: 646.89562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1OCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC(=C1OCCCOC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

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