(2-octoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate

Systemtic Name: (2-octoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: (2-octoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-octoxyphenyl) ester IUPAC Name: (2-octoxyphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid (2-octoxyphenyl) ester Formula: C49H74O4 MolecularWeight: 727.10946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OCCCCCCCC

InChI

InChI=1S/C49H74O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-28-40-51-42(3)43-32-34-44(35-33-43)45-36-38-46(39-37-45)49(50)53-48-31-27-26-30-47(48)52-41-29-24-11-9-7-5-2/h26-27,30-39,42H,4-25,28-29,40-41H2,1-3H3