(2-pentadecan-4-ylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propyldodecyl)phenyl] 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-pentadecan-4-ylphenyl) ester IUPAC Name: (2-pentadecan-4-ylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid [2-(1-propyldodecyl)phenyl] 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=C3C(CCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCCCCCCCCC

InChI

InChI=1S/C56H88O3/c1-5-8-10-12-14-16-17-18-19-20-21-22-23-24-26-28-30-34-47-58-48(4)49-39-41-50(42-40-49)51-43-45-53(46-44-51)56(57)59-55-38-33-32-37-54(55)52(35-7-3)36-31-29-27-25-15-13-11-9-6-2/h32-33,37-46,48,52H,5-31,34-36,47H2,1-4H3