[(Z,5S)-16-methylicos-3-en-1-yn-5-yl] 4-bromanylbenzoate

Systemtic Name: [(Z,5S)-16-methylicos-3-en-1-yn-5-yl] 4-bromanylbenzoate Openeye Name: [(1S)-1-[(Z)-but-1-en-3-ynyl]-12-methyl-hexadecyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(Z,5S)-16-methyleicos-3-en-1-yn-5-yl] ester IUPAC Name: [(Z,5S)-16-methylicos-3-en-1-yn-5-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(Z,1S)-1-(11-methylpentadecyl)pent-2-en-4-ynyl] ester Formula: C28H41BrO2 MolecularWeight: 489.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCCCCCCCCCC(C=CC#C)OC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCC(C)CCCCCCCCCC[C@@H](/C=C\C#C)OC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C28H41BrO2/c1-4-6-16-24(3)17-14-12-10-8-9-11-13-15-19-27(18-7-5-2)31-28(30)25-20-22-26(29)23-21-25/h2,7,18,20-24,27H,4,6,8-17,19H2,1,3H3/b18-7-/t24?,27-/m1/s1