(3,4,5-trioctadecoxyphenyl)methyl 4-(4-fluorophenyl)benzoate

Systemtic Name: (3,4,5-trioctadecoxyphenyl)methyl 4-(4-fluorophenyl)benzoate Openeye Name: (3,4,5-trioctadecoxyphenyl)methyl 4-(4-fluorophenyl)benzoate CAS Name: 4-(4-fluorophenyl)benzoic acid (3,4,5-trioctadecoxyphenyl)methyl ester IUPAC Name: (3,4,5-trioctadecoxyphenyl)methyl 4-(4-fluorophenyl)benzoate Traditional Name: 4-(4-fluorophenyl)benzoic acid (3,4,5-tristearyloxybenzyl) ester Formula: C74H123FO5 MolecularWeight: 1111.763823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C74H123FO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-60-77-71-63-66(65-80-74(76)69-54-52-67(53-55-69)68-56-58-70(75)59-57-68)64-72(78-61-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)73(71)79-62-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h52-59,63-64H,4-51,60-62,65H2,1-3H3