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

Systemtic Name: (2-propylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Openeye Name: (2-propylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-eicosoxyethyl)phenyl]benzoic acid (2-propylphenyl) ester IUPAC Name: (2-propylphenyl) 4-[4-(1-icosoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-arachyloxyethyl)phenyl]benzoic acid (2-propylphenyl) ester Formula: C44H64O3 MolecularWeight: 640.97716

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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=C3CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3CCC

InChI

InChI=1S/C44H64O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-36-46-37(3)38-28-30-39(31-29-38)40-32-34-42(35-33-40)44(45)47-43-27-23-22-26-41(43)25-5-2/h22-23,26-35,37H,4-21,24-25,36H2,1-3H3