[(3R,4S)-4-(2-bromanylprop-2-enoxy)-7-methoxy-2-methyl-7-oxidanylidene-hept-1-en-5-yn-3-yl] benzoate

Systemtic Name: [(3R,4S)-4-(2-bromanylprop-2-enoxy)-7-methoxy-2-methyl-7-oxidanylidene-hept-1-en-5-yn-3-yl] benzoate Openeye Name: [(1R,2S)-2-(2-bromoallyloxy)-1-isopropenyl-5-methoxy-5-oxo-pent-3-ynyl] benzoate CAS Name: benzoic acid [(3R,4S)-4-(2-bromoprop-2-enoxy)-7-methoxy-2-methyl-7-oxohept-1-en-5-yn-3-yl] ester IUPAC Name: [(3R,4S)-4-(2-bromoprop-2-enoxy)-7-methoxy-2-methyl-7-oxohept-1-en-5-yn-3-yl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-(2-bromoallyloxy)-1-isopropenyl-5-keto-5-methoxy-pent-3-ynyl] ester Formula: C19H19BrO5 MolecularWeight: 407.25516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrO5/c1-13(2)18(25-19(22)15-8-6-5-7-9-15)16(24-12-14(3)20)10-11-17(21)23-4/h5-9,16,18H,1,3,12H2,2,4H3/t16-,18+/m0/s1