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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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