3-octadecoxy-5-[1-(3-phenylmethoxyphenoxy)propoxy]benzoic acid

Systemtic Name: 3-octadecoxy-5-[1-(3-phenylmethoxyphenoxy)propoxy]benzoic acid Openeye Name: 3-[1-(3-benzyloxyphenoxy)propoxy]-5-octadecoxy-benzoic acid CAS Name: 3-octadecoxy-5-[1-(3-phenylmethoxyphenoxy)propoxy]benzoic acid IUPAC Name: 3-octadecoxy-5-[1-(3-phenylmethoxyphenoxy)propoxy]benzoic acid Traditional Name: 3-[1-(3-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)OC(CC)OC2=CC=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OC(CC)OC2=CC=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C41H58O6/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-44-38-29-35(41(42)43)30-39(32-38)47-40(4-2)46-37-27-23-26-36(31-37)45-33-34-24-20-19-21-25-34/h19-21,23-27,29-32,40H,3-18,22,28,33H2,1-2H3,(H,42,43)