[2-(4-bromophenyl)-2-oxidanylidene-ethyl] docosanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] docosanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] docosanoate CAS Name: docosanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] docosanoate Traditional Name: behenic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C30H49BrO3 MolecularWeight: 537.61226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C30H49BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(33)34-26-29(32)27-22-24-28(31)25-23-27/h22-25H,2-21,26H2,1H3