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

Systemtic Name: [(3R,4S)-2-methyl-4-oxidanyl-hex-1-en-5-yn-3-yl] benzoate Openeye Name: [(1R,2S)-2-hydroxy-1-isopropenyl-but-3-ynyl] benzoate CAS Name: benzoic acid [(3R,4S)-4-hydroxy-2-methylhex-1-en-5-yn-3-yl] ester IUPAC Name: [(3R,4S)-4-hydroxy-2-methylhex-1-en-5-yn-3-yl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-hydroxy-1-isopropenyl-but-3-ynyl] ester Formula: C14H14O3 MolecularWeight: 230.25916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O3/c1-4-12(15)13(10(2)3)17-14(16)11-8-6-5-7-9-11/h1,5-9,12-13,15H,2H2,3H3/t12-,13+/m0/s1