[(3S,4E,15Z)-docosa-4,15-dien-1-yn-3-yl] 4-bromanylbenzoate

Systemtic Name: [(3S,4E,15Z)-docosa-4,15-dien-1-yn-3-yl] 4-bromanylbenzoate Openeye Name: [(1S,2E,13Z)-1-ethynylicosa-2,13-dienyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3S,4E,15Z)-docosa-4,15-dien-1-yn-3-yl] ester IUPAC Name: [(3S,4E,15Z)-docosa-4,15-dien-1-yn-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S,2E,13Z)-1-ethynyleicosa-2,13-dienyl] ester Formula: C29H41BrO2 MolecularWeight: 501.53864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(4-2)32-29(31)26-22-24-27(30)25-23-26/h2,9-10,20-25,28H,3,5-8,11-19H2,1H3/b10-9-,21-20+/t28-/m1/s1