[4-(1-icosoxyethyl)phenyl] 4-(4-butylphenyl)benzoate

Systemtic Name: [4-(1-icosoxyethyl)phenyl] 4-(4-butylphenyl)benzoate Openeye Name: [4-(1-icosoxyethyl)phenyl] 4-(4-butylphenyl)benzoate CAS Name: 4-(4-butylphenyl)benzoic acid [4-(1-eicosoxyethyl)phenyl] ester IUPAC Name: [4-(1-icosoxyethyl)phenyl] 4-(4-butylphenyl)benzoate Traditional Name: 4-(4-butylphenyl)benzoic acid [4-(1-arachyloxyethyl)phenyl] ester Formula: C45H66O3 MolecularWeight: 655.00374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C45H66O3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-37-47-38(3)40-33-35-44(36-34-40)48-45(46)43-31-29-42(30-32-43)41-27-25-39(26-28-41)24-7-5-2/h25-36,38H,4-24,37H2,1-3H3