(3,4,5-trioctadecoxyphenyl)methyl 4-bromanylbenzoate

Systemtic Name: (3,4,5-trioctadecoxyphenyl)methyl 4-bromanylbenzoate Openeye Name: (3,4,5-trioctadecoxyphenyl)methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid (3,4,5-trioctadecoxyphenyl)methyl ester IUPAC Name: (3,4,5-trioctadecoxyphenyl)methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (3,4,5-tristearyloxybenzyl) ester Formula: C68H119BrO5 MolecularWeight: 1096.57346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)COC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C68H119BrO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56-71-65-59-62(61-74-68(70)63-52-54-64(69)55-53-63)60-66(72-57-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)67(65)73-58-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h52-55,59-60H,4-51,56-58,61H2,1-3H3