phenyl 3-(2-bromanyloctanoyloxy)tetradecanoate

Systemtic Name: phenyl 3-(2-bromanyloctanoyloxy)tetradecanoate Openeye Name: phenyl 3-(2-bromooctanoyloxy)tetradecanoate CAS Name: 3-(2-bromo-1-oxooctoxy)tetradecanoic acid phenyl ester IUPAC Name: phenyl 3-(2-bromooctanoyloxy)tetradecanoate Traditional Name: 3-(2-bromooctanoyloxy)myristic acid phenyl ester Formula: C28H45BrO4 MolecularWeight: 525.5585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)OC1=CC=CC=C1)OC(=O)C(CCCCCC)Br

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)OC1=CC=CC=C1)OC(=O)C(CCCCCC)Br

InChI

InChI=1S/C28H45BrO4/c1-3-5-7-9-10-11-12-13-15-21-25(23-27(30)32-24-19-16-14-17-20-24)33-28(31)26(29)22-18-8-6-4-2/h14,16-17,19-20,25-26H,3-13,15,18,21-23H2,1-2H3