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

Systemtic Name: (2-pentadecylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: (2-pentadecylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-pentadecylphenyl) ester IUPAC Name: (2-pentadecylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid (2-pentadecylphenyl) ester Formula: C56H88O3 MolecularWeight: 809.29612

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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=C3CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCCCCCCCCCCCCCC

InChI

InChI=1S/C56H88O3/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-36-48-58-49(3)50-40-42-51(43-41-50)52-44-46-54(47-45-52)56(57)59-55-39-35-34-38-53(55)37-33-31-29-27-25-23-17-15-13-11-9-7-5-2/h34-35,38-47,49H,4-33,36-37,48H2,1-3H3