(1R,3R,5S,6S)-5-ethynyl-6-methyl-3-phenylmethoxy-7-oxabicyclo[4.1.0]heptane

Systemtic Name: (1R,3R,5S,6S)-5-ethynyl-6-methyl-3-phenylmethoxy-7-oxabicyclo[4.1.0]heptane Openeye Name: (1R,3R,5S,6S)-3-benzyloxy-5-ethynyl-6-methyl-7-oxabicyclo[4.1.0]heptane CAS Name: (1R,3R,5S,6S)-5-ethynyl-6-methyl-3-phenylmethoxy-7-oxabicyclo[4.1.0]heptane IUPAC Name: (1R,3R,5S,6S)-5-ethynyl-6-methyl-3-phenylmethoxy-7-oxabicyclo[4.1.0]heptane Traditional Name: (1R,3R,5S,6S)-3-benzoxy-5-ethynyl-6-methyl-7-oxabicyclo[4.1.0]heptane Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(CC(CC1O2)OCC3=CC=CC=C3)C#C

Isomeric SMILES

C[C@]12[C@@H](C[C@H](C[C@H]1O2)OCC3=CC=CC=C3)C#C

InChI

InChI=1S/C16H18O2/c1-3-13-9-14(10-15-16(13,2)18-15)17-11-12-7-5-4-6-8-12/h1,4-8,13-15H,9-11H2,2H3/t13-,14-,15-,16+/m1/s1