[(1R,5S)-5-acetyloxy-3-ethynyl-4-methyl-cyclohex-3-en-1-yl] ethanoate

Systemtic Name: [(1R,5S)-5-acetyloxy-3-ethynyl-4-methyl-cyclohex-3-en-1-yl] ethanoate Openeye Name: [(1R,5S)-5-acetoxy-3-ethynyl-4-methyl-cyclohex-3-en-1-yl] acetate CAS Name: acetic acid [(1R,5S)-5-acetyloxy-3-ethynyl-4-methyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5S)-5-acetyloxy-3-ethynyl-4-methylcyclohex-3-en-1-yl] acetate Traditional Name: acetic acid [(1R,5S)-5-acetoxy-3-ethynyl-4-methyl-cyclohex-3-en-1-yl] ester Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1OC(=O)C)OC(=O)C)C#C

Isomeric SMILES

CC1=C(C[C@H](C[C@@H]1OC(=O)C)OC(=O)C)C#C

InChI

InChI=1S/C13H16O4/c1-5-11-6-12(16-9(3)14)7-13(8(11)2)17-10(4)15/h1,12-13H,6-7H2,2-4H3/t12-,13+/m1/s1