[(3R,4S)-4-(2-bromanylprop-2-enoxy)-2-methyl-hex-1-en-5-yn-3-yl] benzoate

Systemtic Name: [(3R,4S)-4-(2-bromanylprop-2-enoxy)-2-methyl-hex-1-en-5-yn-3-yl] benzoate Openeye Name: [(1R,2S)-2-(2-bromoallyloxy)-1-isopropenyl-but-3-ynyl] benzoate CAS Name: benzoic acid [(3R,4S)-4-(2-bromoprop-2-enoxy)-2-methylhex-1-en-5-yn-3-yl] ester IUPAC Name: [(3R,4S)-4-(2-bromoprop-2-enoxy)-2-methylhex-1-en-5-yn-3-yl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-(2-bromoallyloxy)-1-isopropenyl-but-3-ynyl] ester Formula: C17H17BrO3 MolecularWeight: 349.21908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(C#C)OCC(=C)Br)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=C)[C@H]([C@H](C#C)OCC(=C)Br)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H17BrO3/c1-5-15(20-11-13(4)18)16(12(2)3)21-17(19)14-9-7-6-8-10-14/h1,6-10,15-16H,2,4,11H2,3H3/t15-,16+/m0/s1